SCHEMBL5654849

SCHEMBL5654849

O=[C]c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.58
ESR1 P03372 4/20 0.58
ESR2 Q92731 3/20 0.58
BCL2L1 Q07817 1/20 0.48
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA6 P23280 1/20 0.46
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
HSD17B1 P14061 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX5 P09917 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL546705 0.92
SCHEMBL3149415 0.86 MMP3 (0.38) MMP3ESR1ESR2CA12CA2
SCHEMBL2322395 0.78 ESR1 (0.61) MMP3ESR1ESR2BCL2L1ABL1
SCHEMBL14400752 0.78 ESR1 (0.65) MMP3ESR1ESR2BCL2L1CA12
SCHEMBL12711690 0.78 ESR1 (0.65) MMP3ESR1ESR2BCL2L1CA12
SCHEMBL9090705 0.76 ESR1 (1.00) MMP3ESR1ESR2BCL2L1CA12
SCHEMBL30826784 0.76 ESR1 (1.00) MMP3ESR1ESR2BCL2L1CA12
SCHEMBL104811 0.76 APP (0.32) APP
Hydroquinone SCHEMBL5712110 0.76 ESR1 (1.00) MMP3ESR1ESR2BCL2L1CA12
SCHEMBL15632 0.76 ESR1 (1.00) MMP3ESR1ESR2BCL2L1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US claimed
US-20050187284-A1 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-25 US claimed
EP-1330430-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2003-07-30 EP claimed
US-20020035104-A1 Integrin receptor inhibitors GENENTECH, INC. 2002-03-21 US claimed
WO-2002016313-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2002-02-28 WO claimed
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US disclosed
US-20050187284-A1 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-25 US disclosed
US-6933314-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-23 US disclosed
US-20040077693-A1 Integrin receptor inhibitors GENENTECH, INC. 2004-04-22 US disclosed
US-6706753-B2 2-AMINO-FLUORENE DERIVATIVES USEFUL FOR PROPHYLACTIC AND/OR THERAPEUTIC TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH ALPHA 4 INTERGRINS OR THEIR LIGANDS GENENTECH, INC. 2004-03-16 US disclosed
EP-1330430-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2003-07-30 EP disclosed
US-20030100599-A1 2-amino-fluorene derivatives useful for prophylactic and/or therapeutic treatment of diseases and conditions associated with alpha 4 intergrins or their ligands GENENTECH, INC. 2003-05-29 US disclosed
US-20020035104-A1 Integrin receptor inhibitors GENENTECH, INC. 2002-03-21 US disclosed
WO-2002016313-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2002-02-28 WO disclosed
WO-1994018229-A1 1,2,4-TRIAZINONE DERIVATIVES AND THEIR USE IN THERAPY FISONS CORPORATION (US) 1994-08-18 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 (4 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-20040077693-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 MMP3 2407/4885ESR1 1516/4885ESR2 841/4885
US-20020035104-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 MMP3 2407/4885ESR1 1516/4885ESR2 841/4885
US-20050187284-A1 Integrin receptor inhibitors ITGA4, ITGB4, ITGB1 MMP3 3363/4885ESR1 1137/4885ESR2 783/4885
US-20030100599-A1 2-amino-fluorene derivatives useful for prophylactic and/or therapeutic treatment of diseases and conditions associated with alpha 4 intergrins or their ligands ITGA1, ITGA2, ITGB1 MMP3 2638/4885ESR1 1439/4885ESR2 573/4885

“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.