SCHEMBL1485972

SCHEMBL1485972

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCO3)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.70
RARB P10826 9/20 0.70
RARG P13631 8/20 0.70
CYP3A4 P08684 3/20 0.70
KMT2A Q03164 2/20 0.70
CYP26A1 O43174 3/20 0.52
RXRA P19793 2/20 0.44
HNF4A P41235 1/20 0.44
CYP26B1 Q9NR63 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CRABP2 P29373 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 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
SCHEMBL8671213 0.90 CYP3A4 (0.61) RARARARBRARGCYP3A4KMT2A
SCHEMBL8559730 0.89 RARB (0.54) RARARARBRARGCYP3A4KMT2A
SCHEMBL1078963 0.88 CYP3A4 (0.60) RARARARBRARGCYP3A4KMT2A
SCHEMBL9270697 0.87 CYP3A4 (0.77) RARARARBRARGCYP3A4KMT2A
SCHEMBL1320433 0.87 CYP3A4 (0.65) RARARARBRARGCYP3A4KMT2A
SCHEMBL7656508 0.86 CYP3A4 (0.58) RARARARBRARGCYP3A4KMT2A
SCHEMBL6668066 0.86 RARA (0.57) RARARARBRARGCYP3A4KMT2A
SCHEMBL6668831 0.85 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL7652569 0.85 CYP3A4 (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL8626930 0.85 CYP3A4 (0.65) RARARARBRARGCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785782-B1 USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY ALLERGAN INC (US) 2004-09-08 EP claimed
EP-0785782-A1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1997-07-30 EP claimed
US-5602130-A ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION ALLERGAN 1997-02-11 US claimed
WO-1996011686-A1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-04-25 WO claimed
EP-0284288-B1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1992-05-27 EP claimed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US claimed
EP-0284288-A1 Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP claimed
US-20120328670-A1 Targeted Delivery of Retinoid Compounds to the Sebaceous Glands ALLERGAN, INC. (US) 2012-12-27 US disclosed
WO-2012167018-A1 TARGETED DELIVERY OF RETINOID COMPOUNDS TO THE SEBACEOUS GLANDS ALLERGAN, INC. (US) 2012-12-06 WO disclosed
US-20110076318-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED MATTERS ALLERGAN, INC. 2011-03-31 US disclosed
US-20090163550-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED METHODS ALLERGAN, INC. (US) 2009-06-25 US disclosed
EP-1765284-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR DRUG DELIVERY SYSTEMS AND RELATED METHODS OF MANUFACTURING Allergan, Inc. (US) 2007-03-28 EP disclosed
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-05-18 US disclosed
US-5348972-A In treatment of skin disorders such as acne and psoriasis ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 US disclosed
EP-0284288-B1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1992-05-27 EP disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 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 (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-20110076318-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED MATTERS RARG, RARB, RARA RARA 3/4885RARB 2/4885RARG 1/4885
US-20120328670-A1 Targeted Delivery of Retinoid Compounds to the Sebaceous Glands RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20090163550-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED METHODS RARB, RARG, RARA RARA 3/4885RARB 1/4885RARG 2/4885
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups CBR3, NR1H2, NR3C2 RARA 2569/4885RARB 2140/4885RARG 2656/4885

“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.