SCHEMBL9750799

SCHEMBL9750799

CC(C)CCCOC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL13702970 0.92 LMNA (0.42) MAPK1LMNAMEN1CYP3A4ALOX15
SCHEMBL13702974 0.90 LMNA (0.40) MAPK1LMNAMEN1CYP3A4ALOX15
SCHEMBL13702968 0.90 LMNA (0.40) MAPK1LMNAMEN1CYP3A4ALOX15
SCHEMBL24627511 0.90 LMNA (0.40) MAPK1LMNAMEN1CYP3A4ALOX15
SCHEMBL13702972 0.90 LMNA (0.40) MAPK1LMNAMEN1CYP3A4ALOX15
SCHEMBL23378003 0.84 LMNA (0.36) MAPK1LMNA
SCHEMBL31755 0.83 MAPK1 (0.42) MAPK1ALDH1A1
SCHEMBL13538360 0.83 MAPK1 (0.34) MAPK1
SCHEMBL24627914 0.81 LMNA (0.54) MAPK1LMNAMEN1CYP3A4ALOX15
SCHEMBL21162437 0.81 MAPK1 (0.33) MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 US disclosed
US-20130144036-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8324155-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 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 (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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 MAPK1 293/4885LMNA 4082/4885MEN1 2152/4885
US-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 MAPK1 3000/4885LMNA 4162/4885MEN1 3240/4885
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 MAPK1 3160/4885LMNA 97/4885MEN1 833/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS MAPK1 3970/4885LMNA 2636/4885MEN1 1233/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 MAPK1 2107/4885LMNA 2955/4885MEN1 2435/4885
US-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CYP3A4, CYP3A5, KEAP1 MAPK1 1952/4885LMNA 2224/4885MEN1 4069/4885
US-20130144036-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CYP3A4, CYP3A5, KEAP1 MAPK1 1952/4885LMNA 2224/4885MEN1 4069/4885

“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.