SCHEMBL290593

SCHEMBL290593

CC(C)(CCCCCCCCCCCCc1ccc(I)cc1)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
CPT2 P23786 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.41
SLC13A5 Q86YT5 2/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RARB P10826 4/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
RARA P10276 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
ALB P02768 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25353036 0.91 FFAR1 (0.64) FFAR1CPT2TDP1ALDH1A1SLC13A5
SCHEMBL10627086 0.86 FFAR1 (0.63) FFAR1CPT2TDP1MAPTRXFP1
SCHEMBL26060195 0.84 FFAR1 (0.56) FFAR1CPT2TDP1ALDH1A1SLC13A5
SCHEMBL28797333 0.80 FFAR1 (0.55) FFAR1CPT2TDP1ALDH1A1SLC13A5
SCHEMBL13882162 0.79 LTB4R (0.40) ALDH1A1S1PR4S1PR1S1PR3S1PR5
SCHEMBL25996677 0.78 FFAR1 (0.56) FFAR1CPT2TDP1MAPTRXFP1
SCHEMBL25995659 0.77 FFAR1 (0.47) FFAR1CPT2TDP1ALDH1A1SLC13A5
SCHEMBL8037883 0.76 FFAR1 (1.00) FFAR1CPT2TDP1ALDH1A1
SCHEMBL5523390 0.76 FFAR1 (1.00) FFAR1CPT2TDP1ALDH1A1
SCHEMBL1834211 0.76 FFAR1 (1.00) FFAR1CPT2TDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309053-B2 Method for monitoring blood flow and metabolic uptake in tissue with radiolabeled alkanoic acid THE GENERAL HOSPITAL CORPORATION (US) 2012-11-13 US disclosed
US-8268291-B2 Method for monitoring blood flow and metabolic uptake in tissue with radiolabeled alkanoic acid THE GENERAL HOSPITAL CORPORATION (US) 2012-09-18 US disclosed
US-20120100073-A1 PET RADIOTRACERS FOR IMAGING FATTY ACID METABOLISM AND STORAGE WASHINGTON UNIVERSITY (US) 2012-04-26 US disclosed
CN-102421454-A Pet radiotracers for imaging fatty acid metablolism and storage UNIV WASHINGTON 2012-04-18 CN disclosed
EP-2427218-A2 PET RADIOTRACERS FOR IMAGING FATTY ACID METABLOLISM AND STORAGE Washington University (US) 2012-03-14 EP disclosed
WO-2010129572-A2 PET RADIOTRACERS FOR IMAGING FATTY ACID METABLOLISM AND STORAGE WASHINGTON UNIVERSITY (US) 2010-11-11 WO disclosed
US-7790142-B2 Using a radiolabeled fatty acid analog such as endo-[18F] fluoro- or [123I]iodo-3,4-cyclopropylheptadecanoic acid localized in tissue of interest, imaging, determining blood flow rate THE GENERAL HOSPITAL CORPORATION (US) 2010-09-07 US disclosed
US-20090156848-A1 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID THE GENERAL HOSPITAL CORPORATION (US) 2009-06-18 US disclosed
US-20080214853-A1 Labeled cycloalkylidene-containing fatty acid analogs; tissue-targeted therapy; tomography; block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest such as heart or tumor THE GENERAL HOSPITAL CORPORATION (US) 2008-09-04 US disclosed
US-20080214851-A1 Synthesis of labeled fatty acid analogs for use in tomography THE GENERAL HOSPITAL CORPORATION (US) 2008-09-04 US disclosed
US-20080213178-A1 Using a radiolabeled fatty acid analog such as endo-[18F] fluoro- or [123I]iodo-3,4-cyclopropylheptadecanoic acid localized in tissue of interest, imaging, determining blood flow rate THE GENERAL HOSPITAL CORPORATION (US) 2008-09-04 US disclosed
US-20080213173-A1 Labeled fatty acid analogs; tissue-targeted therapy; tomography; block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest such as heart, liver, or tumor; endo-vinylic variants of cycloalkyl-substituted heptadecanoic acid for example THE GENERAL HOSPITAL CORPORATION (US) 2008-09-04 US disclosed
US-20080206135-A1 Using a radiolabeled fatty acid analog such as endo-[18F] fluoro- or [123I]iodo-3,4-cyclopropylheptadecanoic acid localized in tissue of interest, imaging, determining blood flow rate THE GENERAL HOSPITAL CORPORATION (US) 2008-08-28 US disclosed
EP-1622602-B1 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID GEN HOSPITAL CORP (US) 2008-08-20 EP disclosed
US-20080095702-A1 Labeled fatty acid analogs; tissue-targeted therapy; tomography; block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest such as heart, liver, or tumor THE GENERAL HOSPITAL CORPORATION (US) 2008-04-24 US disclosed
EP-1622602-A4 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID GEN HOSPITAL CORP (US) 2006-06-21 EP disclosed
EP-1622602-A2 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID THE GENERAL HOSPITAL CORPORATION (US) 2006-02-08 EP disclosed
WO-2004093650-A2 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID THE GENERAL HOSPITAL CORPORATION (US) 2004-11-04 WO disclosed
US-4764358-A Radiolabeled dimethyl branched long chain fatty acid for heart imaging THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1988-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214851-A1 Synthesis of labeled fatty acid analogs for use in tomography FFAR4, FFAR3, FFAR2 FFAR1 5/4885CPT2 54/4885TDP1 4549/4885
US-20080214853-A1 Labeled cycloalkylidene-containing fatty acid analogs; tissue-targeted therapy; tomography; block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest such as heart or tumor FABP3, FFAR2, FFAR1 FFAR1 3/4885CPT2 23/4885TDP1 4610/4885
US-20080206135-A1 Using a radiolabeled fatty acid analog such as endo-[18F] fluoro- or [123I]iodo-3,4-cyclopropylheptadecanoic acid localized in tissue of interest, imaging, determining blood flow rate FFAR3, FFAR2, FFAR1 FFAR1 3/4885CPT2 79/4885TDP1 3855/4885
US-20080213173-A1 Labeled fatty acid analogs; tissue-targeted therapy; tomography; block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest such as heart, liver, or tumor; endo-vinylic variants of cycloalkyl-substituted heptadecanoic acid for example FABP3, FABP1, FFAR2 FFAR1 4/4885CPT2 61/4885TDP1 4593/4885
US-20080095702-A1 Labeled fatty acid analogs; tissue-targeted therapy; tomography; block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest such as heart, liver, or tumor FABP3, FABP1, FFAR2 FFAR1 4/4885CPT2 31/4885TDP1 4778/4885
US-20080213178-A1 Using a radiolabeled fatty acid analog such as endo-[18F] fluoro- or [123I]iodo-3,4-cyclopropylheptadecanoic acid localized in tissue of interest, imaging, determining blood flow rate FFAR3, FFAR2, FFAR1 FFAR1 3/4885CPT2 79/4885TDP1 3855/4885
US-20120100073-A1 PET RADIOTRACERS FOR IMAGING FATTY ACID METABOLISM AND STORAGE LIPC, PNLIP, FFAR1 FFAR1 3/4885CPT2 93/4885TDP1 1601/4885
US-20090156848-A1 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID FABP3, FABP1, SLC27A2 FFAR1 10/4885CPT2 92/4885TDP1 3971/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.