SCHEMBL5658415

SCHEMBL5658415

O=[C]C(Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.56
ESR2 Q92731 9/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC7A5 Q01650 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
POLB P06746 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL832849 0.87 EPHX1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19SLC7A5
SCHEMBL6383255 0.82 ESR2 (0.83) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL7452482 0.82 EPHX1 (0.42) MEN1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11754323 0.78 LDHA (0.51) MEN1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL983099 0.77 SLC6A2 (0.55) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL163773 0.75 ESR1 (0.55) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL20425314 0.75 ESR1 (0.55) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL1838937 0.75 ESR1 (0.50) ESR1ESR2MEN1ALDH1A1CYP1A2
Bicarbonate SCHEMBL28093815 0.74 ESR1 (0.53) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL9498596 0.73 ESR1 (0.60) ESR1ESR2SLC7A5FNTAFNTB

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 14 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

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 ESR1 1516/4885ESR2 841/4885MEN1 2727/4885
US-20020035104-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 ESR1 1516/4885ESR2 841/4885MEN1 2727/4885
US-20050187284-A1 Integrin receptor inhibitors ITGA4, ITGB4, ITGB1 ESR1 1137/4885ESR2 783/4885MEN1 3342/4885
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 ESR1 1439/4885ESR2 573/4885MEN1 1194/4885

“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.