SCHEMBL736113

SCHEMBL736113

O=C(O)CCCCCCCc1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TBXAS1 P24557 9/20 0.53
TSHR P16473 2/20 0.47
F13A1 P00488 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30661655 1.00 MAPT (0.55) MAPTRXFP1TBXAS1TSHRF13A1
SCHEMBL1471746 1.00 MAPT (0.55) MAPTRXFP1TBXAS1TSHRF13A1
SCHEMBL2932213 1.00 MAPT (0.55) MAPTRXFP1TBXAS1TSHRF13A1
SCHEMBL27608146 0.98 MAPT (0.52) MAPTRXFP1TBXAS1TSHRF13A1
SCHEMBL736098 0.93 HDAC3 (0.52) MAPTRXFP1TBXAS1TSHRHDAC3
SCHEMBL28269903 0.91 EPHX2 (0.50) MAPTRXFP1TSHRLMNA
SCHEMBL9680709 0.89 MAPT (0.45) MAPTRXFP1TBXAS1TSHRF13A1
SCHEMBL735832 0.85 TSHR (0.53) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8955030 0.82 GPR84 (0.44)
SCHEMBL4170437 0.82 ALDH1A1 (0.40) MAPTRXFP1TBXAS1TSHRHDAC3

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624208-B Fluorescent probe for targeting liver cancer cells and preparation method and application thereof 临沂大学 2024-07-12 CN claimed
CN-117624208-A Fluorescent probe for targeting liver cancer cells and preparation method and application thereof 临沂大学 2024-03-01 CN claimed
CN-117624208-B Fluorescent probe for targeting liver cancer cells and preparation method and application thereof 临沂大学 2024-07-12 CN disclosed
CN-117624208-A Fluorescent probe for targeting liver cancer cells and preparation method and application thereof 临沂大学 2024-03-01 CN disclosed
US-10987408-B2 Compositions and methods for modulating toll-like receptor 2 activation THE CLEVELAND CLINIC FOUNDATION (US) 2021-04-27 US disclosed
US-20190069527-A1 MOUSE MODEL OF RETINAL DEGENERATION CLEVELAND CLINIC FOUNDATION 2019-03-07 US disclosed
US-20180280482-A1 COMPOSITIONS AND METHODS FOR MODULATING TOLL-LIKE RECEPTOR 2 ACTIVATION CLEVELAND CLINIC FOUND (US) 2018-10-04 US disclosed
US-20180160660-A1 MOUSE MODEL OF RETINAL DEGENERATION CLEVELAND CLINIC FOUNDATION 2018-06-14 US disclosed
US-9981018-B2 Compositions and methods for modulating toll-like receptor 2 activation THE CLEVELAND CLINIC FOUNDATION (US) 2018-05-29 US disclosed
US-20170176470-A1 DETECTION OF CARBOXYALKYLPYRROLE OR PENTYLPYRROLE ETHANOLAMINE PHOSPHOLIPIDS UNIV CASE WESTERN RESERVE (US) 2017-06-22 US disclosed
US-20170105394-A1 MOUSE MODEL OF RETINAL DEGENERATION CLEVELAND CLINIC FOUNDATION 2017-04-20 US disclosed
WO-2008089485-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed
WO-2008089487-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed
US-20080160505-A1 DIAGNOSTIC METHODS FOR AGE RELATED MACULAR DEGENERATION THE CLEVELAND CLINIC FOUNDATION 2008-07-03 US disclosed
US-7341839-B2 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION (US) 2008-03-11 US disclosed
WO-2008013797-A2 COMPOSITIONS AND METHODS FOR MACULAR DEGENERATION THE CLEVELAND CLINIC FOUNDATION (US) 2008-01-31 WO disclosed
WO-2007127151-A2 NON-HUMAN MODEL OF AUTOIMMUNE DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2007-11-08 WO disclosed
US-20070072241-A1 diagnosing age-related macular degeneration comprising determining the level of anti-2-( omega -carboxyethyl) pyrrole (CEP) antibodies in a bodily fluid obtained from the test subject NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-29 US disclosed
US-7172874-B2 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION (US) 2007-02-06 US disclosed
US-20040265924-A1 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION 2004-12-30 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 (2 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-10987408-B2 Compositions and methods for modulating toll-like receptor 2 activation TLR2, TLR3, TLR1 MAPT 4050/4885RXFP1 836/4885TBXAS1 3654/4885
US-20180280482-A1 COMPOSITIONS AND METHODS FOR MODULATING TOLL-LIKE RECEPTOR 2 ACTIVATION TLR2, TLR3, TLR1 MAPT 4050/4885RXFP1 836/4885TBXAS1 3654/4885

“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.