SCHEMBL8710704

SCHEMBL8710704

CCCCCC1COC(=O)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.71
ALDH1A1 P00352 3/20 0.41
CHRM5 P08912 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
EPHX1 P07099 1/20 0.34
PRKCA P17252 3/20 0.34
TSHR P16473 1/20 0.34
NAAA Q02083 1/20 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
SCHEMBL28237732 1.00 CYP1A2 (0.71) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL28238797 1.00 CYP1A2 (0.71) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL664978 0.98 CYP1A2 (0.69) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL6662416 0.98 CYP1A2 (0.69) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL28296028 0.98 CYP1A2 (0.69) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL9136471 0.98 CYP1A2 (0.69) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL5105796 0.94 CYP1A2 (0.62) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL5988542 0.94 CYP1A2 (0.62) CYP1A2ALDH1A1CHRM5L3MBTL1PPARG
SCHEMBL18263291 0.88
SCHEMBL12641503 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393393-B Preparation method of racemic beta-aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2021-06-15 CN claimed
CN-111393393-A Preparation method of racemization β -aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-07-10 CN claimed
CN-109832623-A A kind of nutrition fermented food 臻味之(烟台)食品科技有限公司 2019-06-04 CN claimed
US-20220363632-A1 Compounds Useful for Treating Liver Diseases ABIONYX PHARMA SA (FR) 2022-11-17 US disclosed
CN-111393393-B Preparation method of racemic beta-aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2021-06-15 CN disclosed
CN-111393393-B Preparation method of racemic beta-aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2021-06-15 CN disclosed
CN-111393393-B Preparation method of racemic beta-aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2021-06-15 CN disclosed
CN-111393393-A Preparation method of racemization β -aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-07-10 CN disclosed
CN-111393393-A Preparation method of racemization β -aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-07-10 CN disclosed
CN-111393393-A Preparation method of racemization β -aryl-gamma-butyrolactone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-07-10 CN disclosed
CN-109832623-A A kind of nutrition fermented food 臻味之(烟台)食品科技有限公司 2019-06-04 CN disclosed
EP-0863890-A1 5-AMIDOMETHYL ALPHA, BETHA-SATURATED AND -UNSATURATED 3-ARYL BUTYROLACTONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-09-16 EP disclosed
US-5708169-A BACTERICIDES FOR TREATMENT OF GRAM POSITIVE INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1998-01-13 US disclosed
US-5708169-A BACTERICIDES FOR TREATMENT OF GRAM POSITIVE INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1998-01-13 US disclosed
WO-1997010235-A1 5-AMIDOMETHYL α, β-SATURATED AND -UNSATURATED 3-ARYL BUTYROLACTONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1997-03-20 WO disclosed
EP-0139206-B1 GAMMA-BUTYROLACTONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND IMMUNOMODULATING COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUBISHI KASEI CORPORATION (JP) 1988-07-20 EP disclosed
US-4613613-A ANTIARTHRITIC AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1986-09-23 US disclosed
EP-0139206-A1 Gamma-Butyrolactone derivatives, process for preparing the same and immunomodulating compositions containing the same as active ingredients MITSUBISHI KASEI CORPORATION (JP) 1985-05-02 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-20220363632-A1 Compounds Useful for Treating Liver Diseases SLC10A1, FABP1, CPT1A CYP1A2 227/4885ALDH1A1 103/4885CHRM5 3482/4885

“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.