SCHEMBL5033209

SCHEMBL5033209

CC(CCCCCCCCCCCc1ccc(I)cc1)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 4/20 0.50
S1PR1 P21453 4/20 0.50
S1PR3 Q99500 3/20 0.43
S1PR4 O95977 2/20 0.43
ALB P02768 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
OXER1 Q8TDS5 1/20 0.40

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
Iodofiltic Acid SCHEMBL4422557 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALB
Iodofiltic Acid SCHEMBL4422554 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALB
Iodofiltic Acid SCHEMBL289760 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALB
SCHEMBL25954990 0.87 MMP12 (0.45) S1PR2S1PR1
SCHEMBL10925462 0.87 MAPT (0.50) S1PR2S1PR1S1PR3ALBALDH1A1
SCHEMBL10925065 0.87 MAPT (0.54) S1PR2S1PR1S1PR3ALB
SCHEMBL5809402 0.87 MAPT (0.54) S1PR2S1PR1S1PR3ALB
SCHEMBL14016007 0.86 MAPT (0.56) S1PR2S1PR1ALDH1A1TRPA1OXER1
SCHEMBL5074784 0.86 MAPT (0.56) S1PR2S1PR1ALDH1A1TRPA1OXER1
SCHEMBL23983038 0.85 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0153403-A4 CHEMICAL COMPOUNDS. MALLINCKRODT INC (US) 1985-12-11 EP disclosed
EP-0153403-A1 CHEMICAL COMPOUNDS Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-09-04 EP disclosed
WO-1985000753-A1 CHEMICAL COMPOUNDS MALLINCKRODT, INC. (US) 1985-02-28 WO 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 (1 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-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 S1PR2 97/4885S1PR1 123/4885S1PR3 67/4885

“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.