SCHEMBL6239982

SCHEMBL6239982

CC1(C)CCC(=O)c2cc(C#C[Si](C)(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.39
RARG P13631 13/20 0.39
RARA P10276 11/20 0.38
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
CRABP2 P29373 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GRM5 P41594 3/20 0.33
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRA6 Q16445 2/20 0.32
MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL4517661 0.89 RARB (0.39) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6237663 0.80 TYMS (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7640552 0.77 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3300659 0.77 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4513937 0.77 KDM4E (0.31) RARAGRM5
SCHEMBL7712895 0.75 GRM5 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4511639 0.73 RARB (0.32) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7636138 0.73 CYP3A4 (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8772690 0.73 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6992256 0.72 ALDH1A1 (0.42) CYP3A4GRM5

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities KLEIN ELLIOTT S (US) 2003-11-27 US disclosed
EP-0931786-B1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-0853610-B1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES INC (US) 2003-03-05 EP disclosed
US-6521624-B1 Prevention or amelioration of toxicity or undesired side effect caused by a retinoid compound ALLERGAN, INC. 2003-02-18 US disclosed
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN, INC. 2002-10-24 US disclosed
US-6469028-B1 ARYL-SUBSTITUTED AND ARYL AND (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE, AND 5,6-DIHYDRONAPHTHALENE DERIVATIVES ALLERGAN, INC. 2002-10-22 US disclosed
US-6228848-B1 3-(1-PROPEN-3-OXO)-5,6-DIHYDRONAPHTHALENE DERIVATIVES; SIDE EFFECT REDUCTION ALLERGAN, INC. 2001-05-08 US disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
WO-1998058922-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES, INC. (US) 1998-12-30 WO disclosed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 WO disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP 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 (2 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-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RARB 7/4885RARG 4/4885RARA 2/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RARB 7/4885RARG 4/4885RARA 2/4885

“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.