SCHEMBL12293115

SCHEMBL12293115

CN(C)/C=C/C=C(/C#N)C(=O)OCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
DNM1 Q05193 3/20 0.36
APP P05067 1/20 0.34
MEN1 O00255 5/20 0.34
MAPT P10636 5/20 0.34
KMT2A Q03164 5/20 0.34
GAA P10253 4/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
USP2 O75604 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
TP53 P04637 2/20 0.32
MAOB P27338 1/20 0.32
FNTA P49354 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
SCHEMBL12292471 0.89 CYP2C9 (0.48) CYP2C9DNM1APPMEN1MAPT
SCHEMBL5270672 0.89 CYP2C9 (0.48) CYP2C9DNM1APPMEN1MAPT
SCHEMBL2370992 0.87 CYP2C9 (0.47) CYP2C9DNM1MEN1MAPTKMT2A
SCHEMBL12292862 0.87 CYP2C9 (0.47) CYP2C9DNM1MEN1MAPTKMT2A
SCHEMBL12294065 0.87 CYP2C9 (0.47) CYP2C9DNM1MEN1MAPTKMT2A
SCHEMBL2370993 0.87 CYP2C9 (0.47) CYP2C9DNM1MEN1MAPTKMT2A
SCHEMBL12864656 0.84 CYP2C9 (0.45) CYP2C9DNM1APPMEN1MAPT
SCHEMBL12294481 0.84 CYP2C9 (0.40) CYP2C9DNM1APPMEN1MAPT
SCHEMBL15491442 0.82 CYP2C9 (0.66) CYP2C9MEN1MAPTKMT2AGAA
SCHEMBL9869802 0.82 CYP2C9 (0.66) CYP2C9MEN1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 991/4885DNM1 2341/4885APP 1897/4885
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 991/4885DNM1 2341/4885APP 1897/4885

“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.