SCHEMBL21299

SCHEMBL21299

CCOC(=O)CC(=O)CC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
MMP8 P22894 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 2/20 0.36
SOAT1 P35610 1/20 0.36
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL31555486 0.85 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7745102 0.84 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5003832 0.82 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL798062 0.81 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.81 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5317701 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12988210 0.81 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31517849 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1014529 0.79 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9582157 0.79 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1

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-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
CN-105934482-B Silicone composition curable in the presence of water or atmospheric moisture 埃肯有机硅法国简易股份公司 2019-03-08 CN disclosed
CN-105916946-B It is intended to the product with antifouling property for water application especially ocean application 埃肯有机硅法国简易股份公司 2018-02-27 CN disclosed
CN-105934482-A Silicone composition curable in the presence of water or atmospheric moisture 蓝星有机硅法国两合公司 2016-09-07 CN disclosed
CN-105916946-A Item having anti-soiling properties and intended for aquatic and particularly ocean use 蓝星有机硅法国两合公司 2016-08-31 CN disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-9248117-B2 Substituted N,N-dihaloamines as antimicrobials NOVABAY PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
CN-1886376-A Pyridine compounds as dipeptidyl dipeptidase-IV inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed
CN-1304399-A Process for preparation of amides IHARA CHEMICAL IND CO (JP) 2001-07-18 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 (4 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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GAA 2125/4885MGAM 4684/4885SI 3174/4885
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD GAA 964/4885MGAM 762/4885SI 128/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GAA 358/4885MGAM 2198/4885SI 764/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GAA 2125/4885MGAM 4684/4885SI 3174/4885

“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.