SCHEMBL4199720

SCHEMBL4199720

CCC(CC)NC(=O)c1cc2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 1.00
TAS1R1 Q7RTX1 7/20 1.00
ALDH1A1 P00352 5/20 0.66
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.64
THRB P10828 1/20 0.64
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
HDAC3 O15379 1/20 0.58
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.57
TP53 P04637 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL704600 0.89 TAS1R3 (0.80) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL19387376 0.83 ALDH1A1 (0.76) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL445824 0.81 TAS1R3 (0.66) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL8401808 0.80 TP53 (0.70) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL27107094 0.80 NPC1 (0.78) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL28276389 0.80 ALDH1A1 (0.70) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL28276388 0.80 ALDH1A1 (0.70) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL705448 0.80 TAS1R3 (1.00) TAS1R3TAS1R1HDAC3
SCHEMBL28275043 0.79 ALDH1A1 (1.00) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL28275041 0.79 ALDH1A1 (1.00) TAS1R3TAS1R1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION AJINOMOTO CO. INC. (JP) 2009-01-15 US claimed
CN-101316613-A Gastrointestinal function promoter AJINOMOTO KK (JP) 2008-12-03 CN claimed
EP-1965832-A1 GASTROINTESTINAL FUNCTION PROMOTER Ajinomoto Co., Inc. (JP) 2008-09-10 EP claimed
WO-2007052837-A1 GASTROINTESTINAL FUNCTION PROMOTER AJINOMOTO CO., INC. (JP) 2007-05-10 WO 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-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds SENOMYX, INC. (US) 2019-07-16 US disclosed
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds SENOMYX, INC. (US) 2019-07-16 US disclosed
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
CN-101316613-A Gastrointestinal function promoter AJINOMOTO KK (JP) 2008-12-03 CN disclosed
EP-1965832-A1 GASTROINTESTINAL FUNCTION PROMOTER Ajinomoto Co., Inc. (JP) 2008-09-10 EP 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-20070104709-A1 Non-naturally occurring ligand for umami taste and sweet taste receptor; enhancing response to artificial flavoring FIRMENICH INCORPORATED 2007-05-10 US disclosed
US-20070104709-A1 Non-naturally occurring ligand for umami taste and sweet taste receptor; enhancing response to artificial flavoring FIRMENICH INCORPORATED 2007-05-10 US disclosed
WO-2007052837-A1 GASTROINTESTINAL FUNCTION PROMOTER AJINOMOTO CO., INC. (JP) 2007-05-10 WO disclosed
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 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-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885ALDH1A1 3409/4885
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION GIPR, GRPR, CCKBR TAS1R3 84/4885TAS1R1 93/4885ALDH1A1 2743/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 TAS1R3 5/4885TAS1R1 2/4885ALDH1A1 1080/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 TAS1R3 5/4885TAS1R1 2/4885ALDH1A1 959/4885
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885ALDH1A1 3409/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 TAS1R3 5/4885TAS1R1 3/4885ALDH1A1 1037/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 TAS1R3 17/4885TAS1R1 11/4885ALDH1A1 1936/4885
US-20070104709-A1 Non-naturally occurring ligand for umami taste and sweet taste receptor; enhancing response to artificial flavoring TAS1R2, TAS1R3, TAS2R30 TAS1R3 2/4885TAS1R1 4/4885ALDH1A1 2946/4885
US-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli TAS1R3, TAS1R2, TAS2R30 TAS1R3 1/4885TAS1R1 4/4885ALDH1A1 3957/4885

“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.