SCHEMBL19320501

SCHEMBL19320501

CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1cccc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 5/20 0.36
ALDH1A1 P00352 3/20 0.35
EPHX2 P34913 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
LMNA P02545 1/20 0.34
GPR174 Q9BXC1 3/20 0.34
GPR34 Q9UPC5 1/20 0.34
PPARG P37231 3/20 0.34
MAPT P10636 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
SCHEMBL19320498 1.00 P2RY10 (0.36) P2RY10ALDH1A1EPHX2MEN1GAA
SCHEMBL15430205 0.90 GAA (0.35) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL19305829 0.89 ALDH1A1 (0.35) P2RY10ALDH1A1EPHX2MEN1GAA
SCHEMBL19305296 0.89 ALDH1A1 (0.35) P2RY10ALDH1A1EPHX2MEN1GAA
SCHEMBL15430188 0.88 ALOX5 (0.40) GAAPPARG
SCHEMBL19305828 0.86 P2RY10 (0.36) P2RY10ALDH1A1EPHX2MEN1GAA
SCHEMBL19305822 0.86 P2RY10 (0.36) P2RY10ALDH1A1EPHX2MEN1GAA
SCHEMBL19320500 0.86 CYP3A4 (0.38) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL19320502 0.86 GAA (0.39) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL19320499 0.84 GAA (0.36) ALDH1A1MEN1GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253574-A1 3-ARYL-BENZOFURANONE COMPOUND AND COMPOSITION FORMED THEREFROM EUTEC CHEMICAL CO., LTD (TW) 2017-09-07 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-20170253574-A1 3-ARYL-BENZOFURANONE COMPOUND AND COMPOSITION FORMED THEREFROM ZNF436-AS1, THEM6, WASF2 P2RY10 912/4885ALDH1A1 2062/4885EPHX2 2468/4885

“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.