SCHEMBL3484769

SCHEMBL3484769

CC(C)(C)c1ccc(COc2ccccc2/C=C/C(CCc2ccc(C(=O)O)cc2)Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RXRB P28702 7/20 0.50
RXRG P48443 5/20 0.50
NR4A2 P43354 2/20 0.49
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
HPGD P15428 2/20 0.48
PSMD14 O00487 1/20 0.48
PPARG P37231 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46

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
SCHEMBL3484771 1.00 RXRA (0.50) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL2297691 0.93 RXRA (0.45) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL2293675 0.93 RXRA (0.45) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL2292394 0.93 RXRA (0.45) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL2293682 0.93 RXRA (0.45) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL2675543 0.91 RXRA (0.43) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL2675539 0.91 RXRA (0.43) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL13498117 0.91 RXRA (0.50) RXRARXRBRXRGKMT2AMAPT
SCHEMBL8242344 0.90 RXRA (0.41) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL3485016 0.90 PTGER1 (0.54) RXRARXRBRXRGKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP claimed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO 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 (1 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 RXRA 501/4885RXRB 700/4885RXRG 655/4885

“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.