SCHEMBL2014128

SCHEMBL2014128

CC1(C)CCC(C)(C)c2cc[c]cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.33
RXRB P28702 10/20 0.33
RARB P10826 9/20 0.33
RARG P13631 8/20 0.33
RXRG P48443 6/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
RARA P10276 6/20 0.32
CYP26A1 O43174 2/20 0.31
CYP3A4 P08684 1/20 0.31
CRABP2 P29373 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31

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
SCHEMBL28996984 0.92 RARB (0.30) RXRARXRBRARBRARGRXRG
SCHEMBL4436755 0.86
SCHEMBL5634994 0.77
SCHEMBL816209 0.77
SCHEMBL8558266 0.74 KDM1A (0.34) RXRARXRBRXRG
SCHEMBL1450895 0.72 RARB (0.40) RARBRARGRARA
SCHEMBL4295447 0.72 RARG (0.32) RARG
SCHEMBL7223452 0.72 RARA (0.39) RXRARARBRARGRARACYP26A1
SCHEMBL9192247 0.72 RARA (0.37) RXRARARBRARGRARACYP26A1
SCHEMBL9856646 0.72 RARB (0.40) RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044216-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2016-07-20 EP claimed
WO-2015026990-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROLASE UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-02-26 WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 WO claimed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US claimed
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US claimed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP claimed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US claimed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed
WO-2004048394-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-06-10 WO claimed
US-5767278-A ANTICARCINOGENIC AGENTS GERON CORPORATION (US) 1998-06-16 US claimed
EP-0337689-B1 TETRALIN ESTERS OF PHENOLS OR BENZOIC ACIDS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1993-03-10 EP claimed
US-11952481-B2 Heterophasic polypropylene composition with high flexibility and softness BOREALIS AG (AT) 2024-04-09 US disclosed
US-11702487-B2 Process for preparing propylene polymers BOREALIS AG (AT) 2023-07-18 US disclosed
US-11078304-B2 Process for preparing heterophasic propylene copolymers BOREALIS AG (AT) 2021-08-03 US disclosed
EP-0337689-A1 Tetralin esters of phenols or benzoic acids having retinoid like activity ALLERGAN, INC (US) 1989-10-18 EP disclosed
EP-0176034-B1 DIARYL ACETYLENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1989-08-30 EP disclosed
EP-0263492-A1 Retinoids, their preparation and use as pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 1988-04-13 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 (3 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-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG RXRA 1/4885RXRB 2/4885RARB 5/4885
US-20060052616-A1 Phosphinic acid analogs of glutamate GLUL, GRIA1, GRM1 RXRA 2713/4885RXRB 2740/4885RARB 661/4885
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R RXRA 602/4885RXRB 448/4885RARB 1770/4885

“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.