SCHEMBL543572

SCHEMBL543572

Cc1cc(F)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
RXRB P28702 2/20 0.50
RXRA P19793 1/20 0.50
CLCN2 P51788 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
NOTUM Q6P988 2/20 0.47
KDM4E B2RXH2 3/20 0.46
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42

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
SCHEMBL29728646 1.00 KEAP1 (0.53) KEAP1RXRBRXRACLCN2CES2
SCHEMBL2560228 0.84 CES2 (0.50) KEAP1CLCN2CES2CES1HPGD
SCHEMBL14089891 0.84 RXRB (0.61) RXRBRXRANOTUMKDM4EBCL2L1
SCHEMBL25377745 0.83 NR1H4 (0.43) KEAP1RXRBRXRACLCN2KDM4E
SCHEMBL836181 0.83 CES2 (0.50) KEAP1RXRBRXRACLCN2CES2
SCHEMBL30628278 0.83 CES2 (0.48) KEAP1CES2CES1ALDH1A1MEN1
SCHEMBL1121927 0.83 CES2 (0.48) KEAP1CES2CES1ALDH1A1MEN1
SCHEMBL29780492 0.83 KEAP1 (0.59) KEAP1CLCN2CES2CES1NOTUM
SCHEMBL11476969 0.83 CES2 (0.48) KEAP1CLCN2CES2CES1MEN1
SCHEMBL145273 0.83 KEAP1 (0.59) KEAP1CLCN2CES2CES1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410106-B Benzamide HBV capsid protein inhibitor and preparation method and application thereof 山东第二医科大学 2024-12-06 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-116998480-A Suspension containing fluazinam and preparation method thereof 江苏禾裕泰化学有限公司 2023-11-07 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-116410106-A Benzamide HBV capsid protein inhibitor and preparation method and application thereof 潍坊医学院 2023-07-11 CN claimed
CN-112209876-B Preparation method of 3-trifluoromethyl isoquinolinone derivative 华侨大学 2022-08-26 CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-112209876-A Preparation method of 3-trifluoromethyl isoquinolinone derivative 华侨大学 2021-01-12 CN claimed
CN-110903182-A Simple and environment-friendly chemical synthesis method of 4-fluoro-2-methylbenzoic acid 北京艾德旺科技发展有限公司 2020-03-24 CN claimed
CN-110903176-A Chemical synthesis method of 4-fluoro-2-methylbenzoic acid 北京艾德旺科技发展有限公司 2020-03-24 CN claimed
EP-2516479-B1 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2016-04-20 EP claimed
EP-2516479-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF Corporation (US) 2012-10-31 EP claimed
US-8211819-B2 Internal and external donor compounds for olefin polymerization catalysts BASF CORPORATION (US) 2012-07-03 US claimed
WO-2011084691-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-07-14 WO claimed
US-20110152481-A1 Internal and external donor compounds for olefin polymerization catalysts BASF CATALYSTS LLC (US) 2011-06-23 US claimed
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
EP-0069598-B1 PREPARATION OF AROMATIC KETONES RAYCHEM CORPORATION (a California corporation) (US) 1984-12-19 EP claimed
EP-3802500-B1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2026-05-27 EP disclosed
US-4792618-A CHEMICAL INTERMEDIATE FOR POLYMERS AND PESTICIDES OCCIDENTAL CHEMICAL CORPORATION (US) 1988-12-20 US disclosed
US-4016274-A TRANQUILIZERS AND ANTICONVULSANT AGENTS RHONE-POULENC S.A. (FR) 1977-04-05 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 (1 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-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK KEAP1 1682/4885RXRB 3152/4885RXRA 3128/4885

“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.