SCHEMBL9869802

SCHEMBL9869802

CCOC(=O)/C(C#N)=C\C=C\N(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.66
MAPT P10636 8/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 5/20 0.48
GAA P10253 4/20 0.48
NPC1 O15118 4/20 0.48
USP2 O75604 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
ALDH1A1 P00352 7/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL15491442 1.00 CYP2C9 (0.66) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL9869805 1.00 CYP2C9 (0.66) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL12292844 0.86 CYP2C9 (0.55) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL12758227 0.86 CYP2C9 (0.55) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL5270672 0.85 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL12292471 0.85 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL2370992 0.84 CYP2C9 (0.47) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL12294065 0.84 CYP2C9 (0.47) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL12292862 0.84 CYP2C9 (0.47) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL2370993 0.84 CYP2C9 (0.47) CYP2C9MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683351-B1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2019-10-16 EP disclosed
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-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-20150284330-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT OREAL (FR) 2015-10-08 US disclosed
US-20150284330-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT OREAL (FR) 2015-10-08 US disclosed
US-8961941-B2 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) 2015-02-24 US disclosed
US-8961941-B2 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) 2015-02-24 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
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
US-20130064871-A1 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) 2013-03-14 US disclosed
US-20130064871-A1 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) 2013-03-14 US disclosed
WO-2012119860-A1 COSMETIC COMPOSITION CONTAINING A DIBENZOYLMETHANE DERIVATIVE AND A MONOESTER-MONOAMIDE COMPOUND OF METHYLSUCCINIC ACID; PROCESS FOR PHOTOSTABILIZING A DIBENZOYLMETHANE DERIVATIVE L'OREAL (FR) 2012-09-13 WO disclosed
WO-2012119861-A2 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME L'OREAL (FR) 2012-09-13 WO 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
US-4987232-A ONE POT, GOOD YIELD SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) 1991-01-22 US disclosed
EP-0372654-A2 Preparation of 2-chloropyridine 3-carboxylic acid esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-13 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 (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-20130064871-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT DDT, PCCA, DDC CYP2C9 991/4885MAPT 1050/4885MEN1 209/4885
US-20140056832-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, MAT2A, SCD CYP2C9 1100/4885MAPT 3962/4885MEN1 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 CYP2C9 1019/4885MAPT 3804/4885MEN1 1276/4885
US-20150284330-A1 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT DDT, PCCA, DDC CYP2C9 991/4885MAPT 1050/4885MEN1 209/4885

“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.