SCHEMBL701987

SCHEMBL701987

COc1ccc(CNc2cccc(O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.62
PPARA Q07869 2/20 0.61
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
BCHE P06276 2/20 0.57
ACHE P22303 2/20 0.57
HIF1A Q16665 1/20 0.56
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAOB P27338 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
FFAR1 O14842 1/20 0.50

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
SCHEMBL30480895 0.85 MAPT (0.64) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL14689659 0.85 MAPT (0.64) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL11511829 0.83 MEN1 (0.55) MAPTL3MBTL1BCHEACHEHIF1A
SCHEMBL21722571 0.83 MAPT (0.65) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL10055018 0.82 NOS1 (0.63) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL14808999 0.81 MAPT (0.67) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL2079779 0.81 MAPT (0.64) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL16966286 0.81 MAPT (0.59) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL17602062 0.81 NPC1 (0.65) PPARAMAPTRAB9ANPC1L3MBTL1
SCHEMBL19868432 0.81 CA1 (0.69) NLRP3PPARALMNABCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
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
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-20110097741-A1 PARTIAL T1R2 NUCLEIC ACID SEQUENCE, RECEPTOR PROTEIN AND ITS USE IN SCREENING ASSAYS GIVAUDAN SA (CH) 2011-04-28 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
EP-1581555-B1 CHIMERIC ALPHA Q-GUSTDUCIN G-PROTEINS GIVAUDAN SA (CH) 2008-04-30 EP 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 (9 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-20110097741-A1 PARTIAL T1R2 NUCLEIC ACID SEQUENCE, RECEPTOR PROTEIN AND ITS USE IN SCREENING ASSAYS TAS2R30, TAS1R2, TAS2R31 NLRP3 4190/4885PPARA 4077/4885MAPT 4624/4885
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 NLRP3 624/4885PPARA 163/4885MAPT 930/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 NLRP3 1498/4885PPARA 2448/4885MAPT 1377/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 NLRP3 641/4885PPARA 140/4885MAPT 742/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 NLRP3 2809/4885PPARA 2953/4885MAPT 1637/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 NLRP3 2809/4885PPARA 2953/4885MAPT 1637/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D NLRP3 731/4885PPARA 231/4885MAPT 286/4885
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 NLRP3 713/4885PPARA 235/4885MAPT 4181/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 NLRP3 2809/4885PPARA 2953/4885MAPT 1637/4885

“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.