SCHEMBL669239

SCHEMBL669239

CCOC(=O)C(C)(C)CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.57
CYP4A11 Q02928 3/20 0.57
ALDH1A1 P00352 4/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
PKM P14618 3/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP8 P22894 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39

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
Butyric Acid SCHEMBL28237772 0.87 FFAR3 (0.46) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL1164946 0.83 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL7039335 0.82 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1TSHRLMNA
SCHEMBL6461960 0.82 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL25808957 0.81 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL130722 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL2021436 0.80 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL18363110 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL8925795 0.79 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2
SCHEMBL8888149 0.79 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1ABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735532-A Alpha-fluoro chalcone derivative and application thereof 杭州百诚医药科技股份有限公司 2025-04-01 CN disclosed
CN-112824380-B Alpha-fluoro chalcone derivative and application thereof 杭州百诚医药科技股份有限公司 2024-11-29 CN disclosed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
EP-0900803-B1 PROCESS FOR THE PREPARATION OF 1-ALKOXY-1-TRIMETHYLSILYLOXYCYCLOPROPANES IHARA CHEMICAL IND CO (JP) 2003-03-26 EP disclosed
US-5994572-A REACTING MICROGRANULAR METALLIC SODIUM DISPERSED IN A HYDROCARBON SOLVENT WITH A BETA-HALOGENOCARBOXYLIC ACID ESTER IHARA CHEMICAL INDUSTRY CO., LTD (JP) 1999-11-30 US disclosed
EP-0900803-A1 PROCESS FOR THE PREPARATION OF 1-ALKOXY-1-TRIMETHYLSILYLOXYCYCLOPROPANES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1999-03-10 EP disclosed
EP-0224057-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLIDINE-3-ONES BASF Aktiengesellschaft (DE) 1989-08-23 EP disclosed
CN-85105429-A The preparation desugar is the method for the carboxylates derivatives of Aaron Copland peaceful (deglucoteicoplanin) too 1987-01-14 CN 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CYP4F2 1487/4885CYP4A11 591/4885ALDH1A1 1599/4885

“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.