SCHEMBL7085635

SCHEMBL7085635

C/C(=C\c1ccc(C=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 20/20 0.78
RARB P10826 18/20 0.78
RARA P10276 17/20 0.78
RXRA P19793 12/20 0.78
KDM4E B2RXH2 1/20 0.78
NPC1 O15118 1/20 0.78
CYP26A1 O43174 1/20 0.78
GMNN O75496 1/20 0.78
USP2 O75604 1/20 0.78
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
POLB P06746 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
NFKB1 P19838 1/20 0.78
CYP2C19 P33261 1/20 0.78
THPO P40225 1/20 0.78
MTOR P42345 1/20 0.78

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
SCHEMBL7085637 1.00 RARG (0.78) RARGRARBRARARXRAKDM4E
SCHEMBL10648492 0.89 RARG (0.78) RARGRARBRARARXRAKDM4E
SCHEMBL7551636 0.89 RARG (0.82) RARGRARBRARARXRAKDM4E
SCHEMBL7551641 0.89 RARG (0.82) RARGRARBRARARXRAKDM4E
SCHEMBL11133312 0.88 RARG (0.62) RARGRARBRARARXRAKDM4E
SCHEMBL11133307 0.88 RARG (0.62) RARGRARBRARARXRAKDM4E
SCHEMBL345071 0.87 RARB (1.00) RARGRARBRARARXRAKDM4E
SCHEMBL177444 0.87 RARB (1.00) RARGRARBRARARXRAKDM4E
SCHEMBL29836848 0.87 RARB (1.00) RARGRARBRARARXRAKDM4E
SCHEMBL2307487 0.87 RARB (1.00) RARGRARBRARARXRAKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US claimed
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP claimed
US-7968602-B2 4-[(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-napthalenyl)-1-propenyl]benzoic acid analogs and method of manufacture and use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-06-28 US disclosed
WO-2010096264-A2 METHODS FOR ENHANCING HEMATOPOIETIC STEM/PROGENITOR CELL ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2010-08-26 WO disclosed
US-20100029777-A1 4-[(E)-2-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPTHALENYL)-1-PROPENYL]BENZOIC ACID ANALOGS AND METHOD OF MANUFACTURE AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-04 US disclosed
US-7585894-B2 4-[(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-napthalenyl)-1-propenyl]benzoic acid analogs and method of manufacture and use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-09-08 US disclosed
US-20070015717-A1 4-[(E)-2-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPTHALENYL)-1-PROPENYL]BENZOIC ACID ANALOGS AND METHOD OF MANUFACTURE AND USE THEREOF UNIVERSITY OF CALIFORNIA-LOS ANGELES 2007-01-18 US disclosed
EP-1328262-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES Board of Regents, The University of Texas System (US) 2003-07-23 EP disclosed
US-20020143062-A1 Method to incorporate N-(4-hydroxyphenyl) retinamide in liposomes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-10-03 US disclosed
WO-2002032413-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-04-25 WO disclosed
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed
EP-0002742-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THESE STILBENE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-14 EP disclosed
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 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-20100029777-A1 4-[(E)-2-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPTHALENYL)-1-PROPENYL]BENZOIC ACID ANALOGS AND METHOD OF MANUFACTURE AND USE THEREOF BRCA1, TTPA, UGT2B7 RARG 390/4885RARB 393/4885RARA 306/4885
US-20070015717-A1 4-[(E)-2-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPTHALENYL)-1-PROPENYL]BENZOIC ACID ANALOGS AND METHOD OF MANUFACTURE AND USE THEREOF BRCA1, TTPA, UGT2B7 RARG 390/4885RARB 393/4885RARA 306/4885

“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.