SCHEMBL1560171

SCHEMBL1560171

CC(=O)c1cccc(Cc2cccc(C(=O)O)c2O)c1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.57
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTPN1 P18031 5/20 0.47
PTPN2 P17706 2/20 0.47
PTPN6 P29350 2/20 0.47
ALB P02768 1/20 0.47
MMP2 P08253 1/20 0.47
CXCL12 P48061 1/20 0.45
HNF4A P41235 1/20 0.44
CLCN2 P51788 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 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
SCHEMBL2473330 0.98 HMGB1 (0.56) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6447233 0.93 HMGB1 (0.54) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL633197 0.91 HMGB1 (0.67) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29697016 0.91 HMGB1 (0.67) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9109 0.85 ALDH1A1 (0.63) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29633266 0.85 ALDH1A1 (0.63) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1396288 0.83 HPGD (0.62) HMGB1ALDH1A1HPGDHSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL7767435 0.83 ALDH1A1 (0.61) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3332893 0.83 ALDH1A1 (0.61) HMGB1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL17200169 0.83 ALDH1A1 (0.61) HMGB1ALDH1A1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863921-B1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2018-04-18 EP claimed
EP-1154999-B1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX SA (FR) 2009-04-15 EP claimed
EP-0759899-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1997-03-05 EP claimed
EP-2303327-A2 NIACIN AND NSAID FOR COMBINATION THERAPY Cerenis Therapeutics S.A. (FR) 2011-04-06 EP disclosed
US-20100015220-A1 NIACIN AND NSAID COMBINATION THERAPY FLAMEL TECHNOLOGIES (FR) 2010-01-21 US disclosed
WO-2009142731-A2 NIACIN AND NSAID COMBINATION THERAPY CERENIS THERAPEUTICS S.A. (FR) 2009-11-26 WO disclosed
EP-0169465-B1 MIXTURE OF PYRIMIDO-PYRIMIDINES AND O-ACETYL-SALICYLIC ACID, OR THEIR PHARMACOLOGICALLY ACCEPTABLE SALTS, AND ITS USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed
EP-0169465-A2 Mixture of pyrimido-pyrimidines and O-acetyl-salicylic acid, or their pharmacologically acceptable salts, and its use HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-29 EP 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-20100015220-A1 NIACIN AND NSAID COMBINATION THERAPY NNT, NAPRT, NAMPT HMGB1 328/4885ALDH1A1 581/4885HPGD 13/4885

“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.