SCHEMBL484746

SCHEMBL484746

COc1cc(C)c(C(=O)O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
POLB P06746 2/20 0.64
CYP3A4 P08684 5/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
G6PD P11413 1/20 0.54
RECQL P46063 1/20 0.54
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACHE P22303 1/20 0.47
RXRA P19793 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45

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
Hydrochloric Acid SCHEMBL939484 0.98 KMT2A (0.62) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL311761 0.88 KMT2A (0.57) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL21932914 0.88 KMT2A (0.57) KMT2APOLBCYP3A4HPGDMAPK1
Everninic Acid SCHEMBL609931 0.88 POLB (0.81) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL384123 0.88 POLB (0.57) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL23389812 0.86 KMT2A (0.55) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL10663484 0.86 KMT2A (0.55) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL939482 0.84 CYP3A4 (0.56) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL5581309 0.84 CYP3A4 (0.49) KMT2APOLBCYP3A4HPGDMAPK1
SCHEMBL31465700 0.83 CYP3A4 (0.55) KMT2APOLBCYP3A4HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO 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-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 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-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR KMT2A 1707/4885POLB 2588/4885CYP3A4 4584/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KMT2A 2942/4885POLB 4540/4885CYP3A4 4072/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KMT2A 2632/4885POLB 4437/4885CYP3A4 4168/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KMT2A 1575/4885POLB 4343/4885CYP3A4 3465/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KMT2A 1575/4885POLB 4343/4885CYP3A4 3465/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KMT2A 2632/4885POLB 4437/4885CYP3A4 4168/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 KMT2A 2632/4885POLB 4437/4885CYP3A4 4168/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 KMT2A 1657/4885POLB 4127/4885CYP3A4 3085/4885
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 KMT2A 833/4885POLB 4135/4885CYP3A4 2119/4885
US-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B KMT2A 2897/4885POLB 3022/4885CYP3A4 1215/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C KMT2A 1114/4885POLB 2427/4885CYP3A4 814/4885

“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.