SCHEMBL10103026

SCHEMBL10103026

C/C=C\C=C/C(=C\C)N(C)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.35
EPHX2 P34913 7/20 0.34
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL10102805 0.94 EPHX2 (0.32) EPHX2
SCHEMBL12510745 0.68
SCHEMBL11767462 0.66 DNM1 (0.42) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5361152 0.64 EPHX2 (0.49) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL20038182 0.64 DNM1 (0.46) DNM1EPHX2S1PR2S1PR1S1PR3
Sorbic Acid SCHEMBL13734145 0.64 ACHE (0.52)
SCHEMBL5140728 0.63 CA12 (0.45) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL17624920 0.63 EPHX2 (0.50) DNM1EPHX2S1PR2S1PR1S1PR3
Sorbic Acid SCHEMBL19150281 0.63 ACHE (0.46)
SCHEMBL8861101 0.63 EPHX2 (0.47) DNM1EPHX2S1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY L'OREAL S.A. (FR) 2012-02-09 US disclosed
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2011-01-20 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 (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-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY KRT18, KRTCAP2, DSG1 DNM1 1932/4885EPHX2 2637/4885S1PR2 4736/4885
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, CYBA, KRTCAP2 DNM1 3510/4885EPHX2 2821/4885S1PR2 4819/4885

“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.