SCHEMBL1367103

SCHEMBL1367103

CCCCCCC(=O)N=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 5/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE4A P27815 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL5127510 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL1365133 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL25526352 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL13903246 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL5126821 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL1257720 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL4803397 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL4802270 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL20648076 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL2401194 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209473-B1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORP (US) 2017-11-22 EP disclosed
US-9783833-B2 Biocatalytic methods to convert cyclohexane oxidation process waste streams to useful products INVISTA NORTH AMERICA S.A.R.L. (US) 2017-10-10 US disclosed
WO-2013151393-A1 METHOD FOR PRODUCING MIDDLE-CHAIN Ω-HYDROXY FATTY ACIDS, ΑAND Ω-DICARBOXYLIC ACIDS, AND Ω-AMINO FATTY ACIDS FROM LONG-CHAIN FATTY ACIDS BY BIOTRANSFORMATION 이화여자대학교 산학협력단 (KR) 2013-10-10 WO disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
EP-2006289-A1 PYRAZOLE-TYPE CYANINE DYE Wako Pure Chemical Industries, Ltd. (JP) 2008-12-24 EP disclosed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 CES2 186/4885CES1 412/4885GPR84 3717/4885

“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.