SCHEMBL701651

SCHEMBL701651

CC(C)CC(CO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
ELANE P08246 1/20 0.47
LMNA P02545 1/20 0.46
GCK P35557 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL701650 1.00 ALDH1A1 (0.52) ALDH1A1GAATDP1ELANELMNA
SCHEMBL15240826 1.00 ALDH1A1 (0.52) ALDH1A1GAATDP1ELANELMNA
SCHEMBL15764213 0.88 ALDH1A1 (0.40) ALDH1A1GAAELANELMNAGCK
SCHEMBL18351303 0.86 ALDH1A1 (0.40) ALDH1A1GAAELANELMNAGCK
SCHEMBL16414776 0.85 LMNA (0.50) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL19047043 0.83 TDP1 (0.47) ALDH1A1GAATDP1ELANELMNA
SCHEMBL16656201 0.82 TDP1 (0.49) ALDH1A1GAATDP1
SCHEMBL15241103 0.82 TDP1 (0.46) ALDH1A1GAATDP1LMNATP53
SCHEMBL7054656 0.82 TDP1 (0.46) ALDH1A1GAATDP1LMNATP53
SCHEMBL15240556 0.82 TDP1 (0.46) ALDH1A1GAATDP1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360131-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-10-31 US disclosed
US-12065437-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-20 US disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
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-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 US disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 US disclosed
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN disclosed
US-20200317671-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 US disclosed
US-10723734-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-20120201763-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX, INC. (US) 2012-08-09 US disclosed
US-8124121-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2012-02-28 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-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
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP 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
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 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 (11 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-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ALDH1A1 3432/4885GAA 2589/4885TDP1 1573/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ALDH1A1 3432/4885GAA 2589/4885TDP1 1573/4885
US-20120201763-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885GAA 1180/4885TDP1 3974/4885
US-20200317671-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ALDH1A1 3432/4885GAA 2589/4885TDP1 1573/4885
US-12065437-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ALDH1A1 3432/4885GAA 2589/4885TDP1 1573/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885GAA 1180/4885TDP1 3974/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ALDH1A1 1089/4885GAA 1180/4885TDP1 3974/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 ALDH1A1 1037/4885GAA 1043/4885TDP1 3965/4885
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 ALDH1A1 1936/4885GAA 2461/4885TDP1 4494/4885
US-10723734-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ALDH1A1 3432/4885GAA 2589/4885TDP1 1573/4885
US-20240360131-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ALDH1A1 3432/4885GAA 2589/4885TDP1 1573/4885

“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.