SCHEMBL5656746

SCHEMBL5656746

BrCc1c[c]c(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.44
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TAAR1 Q96RJ0 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
ABCC4 O15439 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PTGS1 P23219 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL866909 0.80 TP53 (0.44) TSHRALDH1A1TAAR1ABCC4LMNA
SCHEMBL1775203 0.80 TSHR (0.44) TSHRTAAR1TDP1ABCC4LMNA
SCHEMBL27351758 0.80 TAAR1 (0.54) TAAR1IDO1AGXT
SCHEMBL5010976 0.77 HSD11B1 (0.36) ALDH1A1TAAR1RAB9A
SCHEMBL5783938 0.76 CYP3A4 (0.35) TSHRALDH1A1TAAR1TDP1GAA
SCHEMBL16143237 0.73 TAAR1 (0.38) ALDH1A1TAAR1LMNAHTT
SCHEMBL28033901 0.72 ALDH1A1 (0.48) ALDH1A1TDP1RAB9A
SCHEMBL1775198 0.72 TRPA1 (0.44) TSHRALDH1A1TRPA1CES2CES1
SCHEMBL2448169 0.72 ALDH1A1 (0.45) TSHRALDH1A1TAAR1TDP1ABCC4
SCHEMBL2958548 0.72 ALDH1A1 (0.45) TSHRALDH1A1TAAR1TDP1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US disclosed
CN-1056140-C Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO CO (JP) 2000-09-06 CN disclosed
CN-1119861-A 1-phenyl-imidazol-2-one biphenylmethyl compounds for treatment of circulatory disorders SEARLE & CO (US) 1996-04-03 CN disclosed
CN-1095374-A Biphenyl derivatives, their preparation and they are in the application for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1994-11-23 CN 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 TSHR 380/4885ALDH1A1 1570/4885TRPA1 1162/4885

“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.