SCHEMBL701331

SCHEMBL701331

CONC(OC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.40
CA4 P22748 1/20 0.39
EPHX1 P07099 1/20 0.36
THRB P10828 1/20 0.36
ACP3 P15309 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5705672 0.81 KMT2A (0.45) KMT2AALDH1A1EPHX1THRBTSHR
SCHEMBL15422792 0.79 KMT2A (0.43) KMT2AALDH1A1EPHX1THRBTSHR
SCHEMBL27292943 0.77 AOC3 (0.42) KMT2AEPHX1TSHRSMN1; SMN2
SCHEMBL1430200 0.76 KMT2A (0.48) KMT2AALDH1A1CA4TSHRGAA
Hydrochloric Acid SCHEMBL13724468 0.76 AOC3 (0.41) KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL9055270 0.74 ALDH1A1 (0.55) KMT2AALDH1A1ACP3GAAMEN1
SCHEMBL5727862 0.72 KMT2A (0.42) KMT2AALDH1A1EPHX1THRBACP3
SCHEMBL14675504 0.72 KMT2A (0.52) KMT2AALDH1A1TSHRGAAL3MBTL1
SCHEMBL24612781 0.71 ALDH1A1 (0.43) KMT2AALDH1A1CA4MEN1MAPT
SCHEMBL25890712 0.71 ALDH1A1 (0.43) KMT2AALDH1A1CA4MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US claimed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US claimed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 US disclosed
US-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS SENOMYX, INC. 2020-02-13 US disclosed
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2020-02-11 US disclosed
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2018-12-20 US disclosed
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX, INC. 2009-04-30 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli SENOMYX, INC. 2008-04-10 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 US disclosed
WO-2008028032-A2 THERAPEUTIC SUBSTITUTED HYDANTOINS AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-03-06 WO disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (12 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-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R2, TAS1R1, TAS2R1 KMT2A 3977/4885ALDH1A1 3409/4885CA4 2660/4885
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 KMT2A 4068/4885ALDH1A1 281/4885CA4 1334/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 KMT2A 1566/4885ALDH1A1 1080/4885CA4 2196/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 KMT2A 1502/4885ALDH1A1 959/4885CA4 2049/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 KMT2A 2659/4885ALDH1A1 3589/4885CA4 1735/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KMT2A 2659/4885ALDH1A1 3589/4885CA4 1735/4885
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 KMT2A 3476/4885ALDH1A1 2207/4885CA4 1746/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KMT2A 1575/4885ALDH1A1 1089/4885CA4 2272/4885
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB KMT2A 3854/4885ALDH1A1 385/4885CA4 768/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KMT2A 1575/4885ALDH1A1 1089/4885CA4 2272/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 KMT2A 1657/4885ALDH1A1 1037/4885CA4 2132/4885
US-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli TAS1R3, TAS1R2, TAS2R30 KMT2A 4252/4885ALDH1A1 3957/4885CA4 2399/4885

“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.