SCHEMBL517310

SCHEMBL517310

CC(C)(CCCCBr)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.57
ACACB O00763 1/20 0.55
ACACA Q13085 1/20 0.55
TBXAS1 P24557 6/20 0.42
PPARA Q07869 7/20 0.41
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
CISD1 Q9NZ45 1/20 0.38

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
SCHEMBL10871604 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL9131338 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL10873588 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL8987137 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL2273062 0.93 ACLY (0.54) ACLYACACBACACATBXAS1PPARA
SCHEMBL7222208 0.87 ACLY (0.70) ACLYACACBACACATBXAS1PPARA
SCHEMBL4190226 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA
SCHEMBL20474799 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA
SCHEMBL1836313 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA
SCHEMBL5528331 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024049979-A2 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME SENDA BIOSCIENCES, INC. (US) 2024-03-07 WO disclosed
CN-116836141-A New bevacizidine intermediate, preparation method thereof and method for synthesizing bevacizidine by using same 上海绿智创领医药科技有限公司 2023-10-03 CN disclosed
CN-116410086-A Method for preparing isobutyric acid derivative 苏州特瑞药业股份有限公司 2023-07-11 CN disclosed
CN-113372221-B Synthesis method of 8-hydroxy-2, 14, 14-tetramethyl pentadecane diacid 北京富盛嘉华医药科技有限公司 2023-06-16 CN disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8614081-B2 Nitrilase biocatalysts CODEXIS, INC. (US) 2013-12-24 US disclosed
US-20120142063-A1 NITRILASE BIOCATALYSTS Codexis ,Inc. (US) 2012-06-07 US disclosed
US-20120142063-A1 NITRILASE BIOCATALYSTS Codexis ,Inc. (US) 2012-06-07 US disclosed
US-20120142063-A1 NITRILASE BIOCATALYSTS Codexis ,Inc. (US) 2012-06-07 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP disclosed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 WO disclosed
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
EP-0111997-B1 VINYL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP disclosed
US-4962106-A Treating platelet activating factor mediated disorders G. D. SEARLE & CO. (US) 1990-10-09 US disclosed
EP-0186083-A2 N-(2-Hyxdroxyalkyl)-amino acids and their derivatives, process for their preparation and pharmaceutical compositions containing them ASTA Pharma AG (DE) 1986-07-02 EP disclosed
US-4518602-A Vinyl carboxylic acid derivatives, their production and use as inhibitors of thromboxane synthetase TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-21 US disclosed
EP-0111997-A2 Vinyl carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-06-27 EP 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-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 ACLY 529/4885ACACB 48/4885ACACA 17/4885

“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.