SCHEMBL2396862

SCHEMBL2396862

COC(=O)/C(C#N)=C/C=C/N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
KMT2A Q03164 8/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 2/20 0.44
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP2C9 P11712 2/20 0.41
RECQL P46063 2/20 0.41
DNMT1 P26358 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
TNNI3 P19429 1/20 0.33

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
SCHEMBL2396864 1.00 APP (0.52) APPKMT2AMEN1MAPTKDM4E
SCHEMBL12292365 1.00 APP (0.52) APPKMT2AMEN1MAPTKDM4E
SCHEMBL9869802 0.81 CYP2C9 (0.66) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL15491442 0.81 CYP2C9 (0.66) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL9869805 0.81 CYP2C9 (0.66) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL12292353 0.81 APP (0.46) APPPOLBCYP2C9ADORA2AADORA2B
SCHEMBL14279230 0.80 APP (0.42) APPKMT2AMEN1MAPTKDM4E
SCHEMBL21478208 0.79 APP (0.49) APPKMT2AMEN1MAPTKDM4E
SCHEMBL14629840 0.79 CYP2C9 (0.37) APPKMT2AKDM4EL3MBTL1CYP2C9
SCHEMBL14396678 0.79 CYP2C9 (0.37) APPKMT2AKDM4EL3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 US disclosed
US-20140056832-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME L'OREAL (FR) 2014-02-27 US disclosed
WO-2011113719-A2 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2011-09-22 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 (2 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-20140056832-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, MAT2A, SCD APP 2985/4885KMT2A 326/4885MEN1 1222/4885
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, FADS2, SCD APP 2842/4885KMT2A 301/4885MEN1 1276/4885

“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.