SCHEMBL10100672

SCHEMBL10100672

C(=C/c1cc[n+](CCSSCC[n+]2ccc(CCc3ccc(N4CCCC4)cc3)cc2)cc1)\c1ccc(N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHKA P35790 9/20 0.51
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL10100617 0.92 MAPT (0.47) CHKABCHEACHEMAPTPTGS2
SCHEMBL2314961 0.82 PTGS2 (0.42) CHKABCHEACHEMAPTPTGS2
SCHEMBL2314957 0.82 PTGS2 (0.45) BCHEACHEMAPTPTGS2
SCHEMBL2312826 0.80 MAOB (0.43) PTGS2
SCHEMBL2312822 0.80 MAOB (0.43) PTGS2
SCHEMBL560092 0.76 MAPT (0.48) CHKABCHEACHEMAPTPTGS2
SCHEMBL560091 0.76 MAPT (0.48) CHKABCHEACHEMAPTPTGS2
SCHEMBL10313104 0.76 ACHE (0.40) ACHEMAPT
SCHEMBL10313125 0.75 KDM4A (0.56) CHKAMAPT
SCHEMBL10100621 0.74 ALDH1A1 (0.43) CHKABCHEACHEMAPTPTGS2

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 CHKA 1015/4885BCHE 4362/4885ACHE 3696/4885
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 CHKA 1255/4885BCHE 3884/4885ACHE 3572/4885

“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.