SCHEMBL837657

SCHEMBL837657

Cc1cccc([C@@H](O)[C@H](C)N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
AOC3 Q16853 2/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
EPHX1 P07099 1/20 0.36
NPY5R Q15761 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYP26A1 O43174 1/20 0.35
ABCB1 P08183 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL5065151 0.85 KDM4E (0.55) KDM4EALDH1A1GAAAOC3LMNA
SCHEMBL5065158 0.85 KDM4E (0.55) KDM4EALDH1A1GAAAOC3LMNA
SCHEMBL14908702 0.85 KDM4E (0.55) KDM4EALDH1A1GAAAOC3LMNA
SCHEMBL836485 0.82 AOC3 (0.46) AOC3NPY5RTRPM8GPR139
SCHEMBL836486 0.82 AOC3 (0.46) AOC3NPY5RTRPM8GPR139
SCHEMBL20492448 0.82 ALDH1A1 (0.40) KDM4EALDH1A1GAAAOC3LMNA
SCHEMBL17603852 0.79 ACP3 (0.39) ACP3ALDH1A1AOC3CYP26A1ABCB1
SCHEMBL835711 0.79 UGT2B7 (0.49) AOC3HIF1A
SCHEMBL7647994 0.76 NPY5R (0.46) KDM4EALDH1A1GAAAOC3LMNA
SCHEMBL4934441 0.75 OPRM1 (0.37) ACP3KDM4EALDH1A1AOC3CYP26A1

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-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 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-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ACP3 1240/4885KDM4E 2848/4885ALDH1A1 699/4885

“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.