SCHEMBL5658423

SCHEMBL5658423

O=CC(Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
OPRM1 P35372 8/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL4217495 0.93 ESR1 (0.43) SLC7A5OPRM1ESR1ESR2OPRK1
SCHEMBL28116802 0.91 ESR1 (0.52) SLC7A5ESR1ESR2MEN1KMT2A
SCHEMBL832850 0.87 EPHX1 (0.48) SLC7A5MEN1KMT2A
SCHEMBL5549457 0.83 MEN1 (0.52) OPRM1ESR1ESR2OPRK1FNTA
SCHEMBL28867116 0.82 EPHX1 (0.42) POLBMEN1KMT2A
SCHEMBL27871548 0.82 SMN1; SMN2 (0.47) POLBMEN1KMT2A
SCHEMBL28116428 0.79 KEAP1 (0.41) SLC7A5OPRM1ESR1ESR2OPRK1
SCHEMBL27511044 0.79 SLC6A3 (0.55) MEN1KMT2A
SCHEMBL27871544 0.78 LDHA (0.51) MEN1KMT2A
SCHEMBL983099 0.77 SLC6A2 (0.55) SLC7A5ESR1ESR2FNTAFNTB

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
CN-116063839-A High-temperature self-crosslinking poly (arylene ether nitrile) composite material and preparation method thereof 中国科学院大连化学物理研究所 2023-05-05 CN disclosed
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 SLC7A5 4309/4885OPRM1 191/4885ESR1 1516/4885
US-20020035104-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 SLC7A5 4309/4885OPRM1 191/4885ESR1 1516/4885
US-20050187284-A1 Integrin receptor inhibitors ITGA4, ITGB4, ITGB1 SLC7A5 3877/4885OPRM1 413/4885ESR1 1137/4885
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 SLC7A5 2795/4885OPRM1 830/4885ESR1 1439/4885

“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.