SCHEMBL5878874

SCHEMBL5878874

CCCCC[CH]c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.42
HTR7 P34969 1/20 0.40
PSMD14 O00487 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
MC4R P32245 1/20 0.40
RAD52 P43351 1/20 0.40
NFE2L2 Q16236 1/20 0.39
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9201400 0.94 TRPA1 (0.44) TRPA1HTR7PSMD14HSP90AA1MMP2
SCHEMBL653095 0.85 NFE2L2 (0.43) TRPA1NFE2L2KMT2ALMNAMEN1
SCHEMBL6320373 0.82 ALDH1A1 (0.39) KMT2AHPGDLMNAMAPTNPSR1
SCHEMBL1610243 0.81 CYP2A6 (0.44) NFE2L2HPGDL3MBTL1MAPTNPSR1
SCHEMBL15688742 0.80 TNNC1 (0.49) TRPA1NFE2L2CNR1CNR2LMNA
SCHEMBL15690345 0.80 TNNC1 (0.49) TRPA1NFE2L2CNR1CNR2LMNA
SCHEMBL1610892 0.79 HTT (0.44) NFE2L2L3MBTL1
SCHEMBL1611160 0.79 HTT (0.44) NFE2L2L3MBTL1
SCHEMBL1609682 0.79 ALDH1A1 (0.44) KMT2AHPGDPTGS1PTGS2LMNA
SCHEMBL38728 0.78 LMNA (0.46) CNR1CNR2LMNAMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094911-B2 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2006-08-22 US disclosed
EP-1140809-B1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
US-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6677360-B2 TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6420396-B1 TREATMENT OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOLYTIC DISORDERS, OPHTHALMIC DISORDERS, AND THEIR USE AS INTEGRIN ANTAGONISTS. INHIBITING ANGIOGENESIS BEIERSDORF AG (DE) 2002-07-16 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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 (3 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-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB2, ITGB1, ITGB3 TRPA1 1554/4885HTR7 1562/4885PSMD14 2598/4885
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C TRPA1 2190/4885HTR7 1875/4885PSMD14 3054/4885
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 TRPA1 1416/4885HTR7 1302/4885PSMD14 2453/4885

“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.