SCHEMBL668838

SCHEMBL668838

COc1cc(C(=O)O)cc(OC)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ TDP1 Q9NUW8 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA6 P23280 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ CA14 Q9ULX7 2/20 0.54
▸ CA3 P07451 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54
▸ PTGS2 P35354 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HIF1A Q16665 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
SCHEMBL31550344 0.90 ALDH1A1 (0.58) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL1291177 0.90 KDM4E (0.58) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL5365414 0.90 ALDH1A1 (0.58) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL28304077 0.88 KDM4E (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL2715034 0.88 KDM4E (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL4595561 0.88 ALDH1A1 (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL11336416 0.88 KDM4E (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL837798 0.88 ALDH1A1 (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL4595571 0.88 ALDH1A1 (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL2657835 0.87 KDM4E (0.55) KDM4EALDH1A1TDP1LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors ACTIO BIOSCIENCES, INC. (US) 2026-05-19 — — US disclosed
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS ACTIO BIOSCIENCES, INC. 2025-10-09 — — US disclosed
CN-119751443-A Nitrogen-containing condensed ring compound, pharmaceutical composition containing same and application thereof 杭州禹泓医药科技有限公司 2025-04-04 — — CN disclosed
WO-2025068448-A1 ATP SYNTHASE INHIBITORS FOR USE IN THE TREATMENT OF NON-TUBERCULOSIS MYCOBACTERIA JANSSEN PHARMACEUTICA NV (BE) 2025-04-03 — — WO disclosed
EP-3398452-B1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS FIRMENICH INCORPORATED (US) 2024-10-02 — — EP disclosed
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 — — CN disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 — — EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 — — 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-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
EP-1601642-A4 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2007-04-11 — — 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
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 — — 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
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2006-01-26 — — US disclosed
EP-1601642-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-12-07 — — EP 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
WO-2004078924-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2004-09-16 — — WO 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 (6 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-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS KCNT1, KCNT2, KCNN3 KDM4E 1709/4885ALDH1A1 1929/4885TDP1 3206/4885
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors KCNT1, KCNT2, KCNJ2 KDM4E 2324/4885ALDH1A1 1762/4885TDP1 4595/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 KDM4E 3652/4885ALDH1A1 3129/4885TDP1 3426/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KDM4E 2873/4885ALDH1A1 1089/4885TDP1 3974/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 KDM4E 2679/4885ALDH1A1 1037/4885TDP1 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 KDM4E 282/4885ALDH1A1 1936/4885TDP1 4494/4885

“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.

Send feedback