SCHEMBL3332893

SCHEMBL3332893

CC(=O)c1cccc(C(=O)O)c1O.CC(=O)c1cccc(C(=O)O)c1O.[AlH3]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 2/20 0.61
ALB P02768 1/20 0.55
MMP2 P08253 1/20 0.55
HNF4A P41235 1/20 0.52
ALOX15 P16050 1/20 0.48
HMGB1 P09429 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA6 P23280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9109 0.98 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL29633266 0.98 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL17200169 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
Water SCHEMBL7762373 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL17076506 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
Water SCHEMBL10709467 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL4098212 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
Ammonia Solution, Strong SCHEMBL7767435 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL2584553 0.96 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALB
Bicarbonate SCHEMBL3689372 0.94 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618120-B2 Synergistic combinations of VR-1 antagonists and COX-2 inhibitors NOVARTIS AG (CH) 2013-12-31 US disclosed
US-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2178562-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010529-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
US-3988333-A Tri-substituted aluminum salts or di-substituted aluminum salts of carboxyl group-containing, pharmaceutically effective compounds TEIKOKU HORMONE MFG. CO., LTD. (JA) 1976-10-26 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-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS TRPV2, TRPV1, TRPV3 ALDH1A1 1168/4885KDM4E 4559/4885HPGD 168/4885

“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.