SCHEMBL3550156

SCHEMBL3550156

CCOc1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.66
RXRB P28702 2/20 0.66
RXRG P48443 1/20 0.66
TP53 P04637 1/20 0.56
MDM2 Q00987 1/20 0.56
L3MBTL1 Q9Y468 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 1/20 0.55
EGFR P00533 1/20 0.55
PTPRC P08575 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
TTR P02766 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA4 P48058 1/20 0.52

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
SCHEMBL8014661 0.86 RXRA (0.61) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL1568239 0.86 RXRA (0.54) RXRARXRBRXRGTP53MDM2
SCHEMBL5851582 0.86 PARP10 (0.56) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL6638664 0.86 PTPRC (0.52) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL7972144 0.85 RXRA (0.63) RXRARXRBRXRGEGFRHCRTR1
SCHEMBL1721733 0.84 TSHR (0.62) RXRARXRBLMNAEGFRHCRTR1
SCHEMBL8769909 0.84 RARB (0.63) RXRARXRBRXRGTP53KDM4E
SCHEMBL8986580 0.84 RARB (0.63) RXRARXRBRXRGTP53KDM4E
SCHEMBL3977527 0.84 RARB (0.63) RXRARXRBRXRGTP53KDM4E
SCHEMBL10871804 0.84 RARB (0.63) RXRARXRBRXRGTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP claimed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP claimed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO disclosed
US-5827887-A 5-ALPHA REDUCTASE INHIBITORS ROUSSEL UCLAF (FR) 1998-10-27 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 (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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR RXRA 443/4885RXRB 297/4885RXRG 334/4885

“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.