SCHEMBL3780480

SCHEMBL3780480

CC(C)(C)OC(=O)C1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
MCL1 Q07820 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL6283782 0.95 MAPK1 (0.46) MAPK1MCL1CHRM2CHRM1CHRM3
SCHEMBL15692218 0.82 MAPK1 (0.36) MAPK1MCL1CYP1A2ALDH1A1KMT2A
SCHEMBL374935 0.79 MAPK1 (0.47) MAPK1MCL1CYP1A2RECQLTHRB
SCHEMBL25061 0.79 MAPK1 (0.47) MAPK1MCL1CYP1A2RECQLTHRB
SCHEMBL31276435 0.79 MAPK1 (0.47) MAPK1MCL1CYP1A2RECQLTHRB
SCHEMBL6631827 0.78 MAPK1 (0.35) MAPK1THRBKDM4E
SCHEMBL31198171 0.77 MAPK1 (0.46) MAPK1MCL1CYP1A2RECQLTHRB
SCHEMBL8772002 0.76 MAPK1 (0.38) MAPK1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL1015496 0.76 TLR4 (0.53) MAPK1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL21597573 0.76 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3THRB

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
CN-104230734-B Synthesis method for alpha-alkylation by visible light catalysis of secondary amine 中国科学院理化技术研究所 2016-06-29 CN disclosed
CN-104230734-A Synthesis method for alpha-alkylation by visible light catalysis of secondary amine CHINESE ACAD TECH INST PHYSICS 2014-12-24 CN disclosed
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
CN-102459162-A Novel cyclopentane derivatives HOFFMANN LA ROCHE 2012-05-16 CN disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 US disclosed
CN-101928241-A 2-mercaptopentancarboxacid acid derivatives, its preparation method and contain their medicinal compositions SERVIER LAB 2010-12-29 CN disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-0755912-B1 Process for the preparation of 2-substituted cyclopentanones BAYER AG (DE) 1999-09-08 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R MAPK1 2157/4885MCL1 1639/4885CHRM2 267/4885

“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.