SCHEMBL4591133

SCHEMBL4591133

Cc1ccc(=O)n(CC(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 2/20 1.00
POLB P06746 1/20 1.00
MAPT P10636 1/20 1.00
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLK1 P53350 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13842796 0.80 KDM4E (0.67) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL9609773 0.80 KDM4E (0.67) KDM4EALDH1A1POLBMAPTHSD17B10
SCHEMBL2824926 0.79 ALDH1A1 (0.65) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL2825710 0.79 KDM4E (0.65) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL15807131 0.78 ALDH1A1 (0.64) KDM4EALDH1A1POLBMAPTPTGDR2
SCHEMBL26111441 0.77 ALDH1A1 (0.62) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL4893880 0.77 ALDH1A1 (0.62) KDM4EALDH1A1POLBMAPTHSD17B10
SCHEMBL7478784 0.77 MAPT (0.62) KDM4EALDH1A1POLBMAPTPTGDR2
SCHEMBL4244673 0.77 ALDH1A1 (0.62) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL15468899 0.77 ALDH1A1 (0.62) KDM4EALDH1A1POLBMAPTPTGDR2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
WO-2018193387-A1 HETEROCYCLIC COMPOUNDS WITH MICROBIOCIDAL PROPERTIES PI INDUSTRIES LTD. (IN) 2018-10-25 WO disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 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 (6 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885ALDH1A1 4469/4885POLB 4377/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885ALDH1A1 4469/4885POLB 4377/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KDM4E 3641/4885ALDH1A1 4051/4885POLB 4413/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KDM4E 3641/4885ALDH1A1 4051/4885POLB 4413/4885
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 KDM4E 4590/4885ALDH1A1 639/4885POLB 3118/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 KDM4E 4590/4885ALDH1A1 639/4885POLB 3118/4885

“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.