SCHEMBL529207

SCHEMBL529207

COC(=O)CC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
CA2 P00918 1/20 0.39
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL28152248 0.87 MGAM (0.62) MGAMGAASIMGAM2TSHR
SCHEMBL23391807 0.83 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL112862 0.81
SCHEMBL28567697 0.81 LMNA (0.41) TSHRALDH1A1TDP1CYP2C19HSD17B10
SCHEMBL11911037 0.81 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL9074339 0.81 TSHR (0.59) MGAMGAASIMGAM2TSHR
SCHEMBL1924519 0.81 ALDH1A1 (0.53) ALDH1A1TDP1CYP2C19MMP1MMP2
SCHEMBL29309522 0.81 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL15344 0.79 GAA (0.58) MGAMGAASIMGAM2TSHR
Hydrochloric Acid SCHEMBL30578737 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
WO-2025042896-A1 DNA TOPOISOMERASE IIβ INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-02-27 WO disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
CN-106661395-B Workpiece fixing sheet with resin layer 琳得科株式会社 2021-05-28 CN disclosed
EP-3475276-B1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER US HEALTH (US) 2021-03-31 EP disclosed
US-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-11-17 US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-7169774-B2 Cephalotaxane derivatives and their processes of preparation and purification STRAGEN PHARMA S.A. (CH) 2007-01-30 US disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 WO disclosed
EP-1685092-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-08-02 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-06-08 US disclosed
EP-1594843-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE Takasago International Corporation (JP) 2005-11-16 EP disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 WO disclosed
WO-2004074255-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-09-02 WO disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 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 (7 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MGAM 328/4885GAA 343/4885SI 429/4885
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 MGAM 4821/4885GAA 3466/4885SI 3534/4885
US-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer IDH1, IDH2, IDH3B MGAM 4622/4885GAA 4210/4885SI 4830/4885
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline AADAT, KMO, ALDH7A1 MGAM 2405/4885GAA 1242/4885SI 1115/4885
US-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR MGAM 940/4885GAA 751/4885SI 201/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 MGAM 4778/4885GAA 3350/4885SI 3644/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A MGAM 2194/4885GAA 141/4885SI 4182/4885

“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.