SCHEMBL4429178

SCHEMBL4429178

Cc1cc(C(=O)O)ccc1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.62
RARB P10826 1/20 0.54
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NAPRT Q6XQN6 1/20 0.48
RPS6KA5 O75582 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
RPS6KA3 P51812 1/20 0.48
PRKX P51817 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKG2 Q13237 1/20 0.48

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
Hydrochloric Acid SCHEMBL6197476 0.98 ADH5 (0.60) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL8506590 0.87 ADH5 (0.60) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL11507830 0.85 RARB (0.63) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL14540358 0.84 RARB (0.61) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL29707122 0.84 ESR2 (0.58) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL121338 0.84 ESR2 (0.58) ADH5RARBKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL5753140 0.82 ESR2 (0.56) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL4435973 0.82 KMO (0.62) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL9332838 0.82 SLC2A1 (0.61) ADH5KDM4EALDH1A1RPS6KA5PRKACA
SCHEMBL68014 0.81 ALDH1A1 (0.57) ADH5RARBKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO 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 (2 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ADH5 815/4885RARB 884/4885KDM4E 3923/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 ADH5 4503/4885RARB 3166/4885KDM4E 3224/4885

“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.