SCHEMBL2890394

SCHEMBL2890394

CCCc1cc2c(cc1C(C)=Cc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.85
RARG P13631 15/20 0.85
RXRA P19793 14/20 0.85
RARA P10276 12/20 0.85
RXRB P28702 3/20 0.85
RXRG P48443 3/20 0.85
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
CYP26A1 O43174 1/20 0.63
GMNN O75496 1/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
POLB P06746 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL2890391 1.00 RARB (0.85) RARBRARGRXRARARARXRB
SCHEMBL10843201 0.93 RXRA (0.81) RARBRARGRXRARARARXRB
SCHEMBL10841254 0.93 RXRA (0.81) RARBRARGRXRARARARXRB
SCHEMBL10846860 0.93 RARB (0.73) RARBRARGRXRARARARXRB
SCHEMBL10846856 0.93 RARB (0.73) RARBRARGRXRARARARXRB
SCHEMBL10844085 0.92 RXRA (0.80) RARBRARGRXRARARARXRB
SCHEMBL10844087 0.92 RXRA (0.80) RARBRARGRXRARARARXRB
SCHEMBL9007272 0.92 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL9007266 0.92 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL9007264 0.92 RARB (1.00) RARBRARGRXRARARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-4578498-A FOR SKIN DISORDERS; REDUCED TOXICITY BASF AKTIENGESELLSCHAFT (DE) 1986-03-25 US 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 RARB 393/4885RARG 390/4885RXRA 566/4885
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 RARB 393/4885RARG 390/4885RXRA 566/4885

“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.