SCHEMBL6200581

SCHEMBL6200581

O=C(O)C1(CCCCCCl)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
CYP4F2 P78329 10/20 0.38
CYP4A11 Q02928 10/20 0.38
CYP2C19 P33261 1/20 0.34
CPB2 Q96IY4 4/20 0.33

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
SCHEMBL2737133 0.98 TBXAS1 (0.37) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL6273845 0.89 TBXAS1 (0.42) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL6267731 0.89 CYP2C19 (0.47) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL797992 0.89 TBXAS1 (0.45) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL798200 0.89 TBXAS1 (0.45) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL798344 0.89 TBXAS1 (0.45) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL798204 0.89 TBXAS1 (0.45) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL10257161 0.82 CYP4F2 (0.53) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL17099452 0.82 CYP4F2 (0.53) TBXAS1CYP4F2CYP4A11CYP2C19CPB2
SCHEMBL9182194 0.79 TBXAS1 (0.54) TBXAS1CYP4F2CYP4A11CYP2C19CPB2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046065-A1 MERGING C(sp3)-H ACTIVATION WITH DNA-ENCODING THE SCRIPPS RESEARCH INSTITUTE 2023-02-16 US disclosed
CN-112312902-B Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2022-02-18 CN disclosed
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-01 US disclosed
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-01 US disclosed
US-20210087131-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE 2021-03-25 US disclosed
US-20210087131-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE 2021-03-25 US disclosed
CN-112312902-A Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2021-02-02 CN disclosed
WO-2019204477-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2019-10-24 WO disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 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 (2 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-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids PDCD1, PDK3, PDCD1LG2 TBXAS1 3447/4885CYP4F2 1788/4885CYP4A11 1204/4885
US-20210087131-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS PDCD1, PDK3, PDCD1LG2 TBXAS1 3302/4885CYP4F2 1762/4885CYP4A11 1182/4885

“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.