SCHEMBL700502

SCHEMBL700502

O=Cc1cc2ccccc2c(=O)o1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
PTGES O14684 4/20 0.53
MITF O75030 1/20 0.47
ALOX5 P09917 3/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TYMP P19971 1/20 0.44
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.39

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
SCHEMBL9525912 0.76 CYP2A6 (0.56) CYP2A6ALDH1A1HPGDMAPTKDM4E
SCHEMBL19583424 0.75 PTGES (0.78) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL9956377 0.74 CYP2A6 (1.00) CYP2A6ALDH1A1HPGDMAPTKDM4E
SCHEMBL91009 0.74 CYP2A6 (1.00) CYP2A6ALDH1A1HPGDMAPTKDM4E
SCHEMBL29502957 0.74 CYP2A6 (1.00) CYP2A6ALDH1A1HPGDMAPTKDM4E
SCHEMBL14431995 0.73 ALDH1A1 (0.44) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL6449120 0.72 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL21058262 0.72 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL31661103 0.72 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL1649762 0.72 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 US disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-8609362-B2 G-proteins GIVAUDAN SA (CH) 2013-12-17 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
EP-2629609-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES Elcelyx Therapeutics, Inc. (US) 2013-08-28 EP disclosed
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
US-8124360-B2 Use of a T1R2 nucleic acid sequence to identify tastants GIVAUDAN S.A. (CH) 2012-02-28 US disclosed
US-20110177545-A1 G-PROTEINS GIVAUDAN SA (CH) 2011-07-21 US disclosed
US-7919236-B2 G-proteins GIVAUDAN SA (CH) 2011-04-05 US disclosed
US-20090176266-A1 FUNCTIONAL METHOD TO IDENTIFY TASTANTS GIVAUDAN S.A. (CH) 2009-07-09 US disclosed
US-20060275765-A1 G-proteins GIVAUDAN SA (CH) 2006-12-07 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 (8 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-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 CYP2A6 4284/4885PTGES 2242/4885MITF 3333/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 CYP2A6 3950/4885PTGES 892/4885MITF 175/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 CYP2A6 1936/4885PTGES 797/4885MITF 763/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP2A6 3706/4885PTGES 925/4885MITF 343/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP2A6 3706/4885PTGES 925/4885MITF 343/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D CYP2A6 1299/4885PTGES 362/4885MITF 1076/4885
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CYP2A6 4520/4885PTGES 2698/4885MITF 907/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP2A6 3706/4885PTGES 925/4885MITF 343/4885

“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.