SCHEMBL715946

SCHEMBL715946

COc1cc(OC)c(C=CC(=O)O)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
ABCG2 Q9UNQ0 4/20 0.68
PTGS2 P35354 2/20 0.67
MAOA P21397 2/20 0.59
AURKA O14965 1/20 0.56
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PKM P14618 2/20 0.54
HTR1A P08908 1/20 0.54
HTR2C P28335 1/20 0.54
PTGS1 P23219 1/20 0.54
THRB P10828 1/20 0.53
ATM Q13315 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
ERN1 O75460 1/20 0.51
CHRNA7 P36544 1/20 0.51
CYP1A1 P04798 1/20 0.50

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
SCHEMBL290189 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL6785174 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL5884005 0.87 PTGS2 (0.69) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL5884009 0.87 PTGS2 (0.69) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL27851648 0.86 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL26445244 0.86 ABCG2 (0.64) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL1877390 0.85 ABCG2 (0.68) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL1877387 0.85 ABCG2 (0.68) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA
SCHEMBL29048769 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2ABCG2PTGS2AURKA
SCHEMBL23122299 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2ABCG2PTGS2MAOA

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-2427443-B1 CINNAMIC ACID ASCORBATES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-8598228-B2 Cinnamic acid ascorbates MERCK PATENT GMBH (DE) 2013-12-03 US disclosed
US-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
WO-2010127756-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4230696-A CONTAINING GLYCINE AND LYSINE OR ARGININE ST. LUKE'S HOSPITAL (US) 1980-10-28 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-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH ALDH1A1 16/4885SMN1; SMN2 3843/4885ABCG2 840/4885

“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.