SCHEMBL2293682

SCHEMBL2293682

CC(C)(C)c1ccc(COc2ccccc2C=CC(CCc2ccc(C#N)cc2)Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.45
RXRB P28702 4/20 0.45
NR4A2 P43354 2/20 0.45
RXRG P48443 3/20 0.44
KMT2A Q03164 6/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
PSMD14 O00487 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
XDH P47989 1/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41

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
SCHEMBL2292394 1.00 RXRA (0.45) RXRARXRBNR4A2RXRGKMT2A
SCHEMBL2293675 1.00 RXRA (0.45) RXRARXRBNR4A2RXRGKMT2A
SCHEMBL2297691 1.00 RXRA (0.45) RXRARXRBNR4A2RXRGKMT2A
SCHEMBL3484769 0.93 RXRA (0.50) RXRARXRBNR4A2RXRGKMT2A
SCHEMBL3484771 0.93 RXRA (0.50) RXRARXRBNR4A2RXRGKMT2A
SCHEMBL2293858 0.92 MAPT (0.43) RXRARXRBNR4A2KMT2AMAPT
SCHEMBL2290407 0.92 TP53 (0.47) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL2290418 0.92 TP53 (0.47) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL2295707 0.92 TP53 (0.47) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL2295713 0.92 TP53 (0.47) KMT2AMAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 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 (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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 RXRA 1114/4885RXRB 1221/4885NR4A2 1039/4885

“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.