SCHEMBL13294085

SCHEMBL13294085

CN1CCOc2cc(/C=C/c3n(C)c4ccccc4[n+]3CCCCSSCCCCN3c4ccccc4N(C)C3/C=C/c3ccc4c(c3)OCCN4C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.33
▸ TRPM5 Q9NZQ8 1/20 0.32
▸ HDAC4 P56524 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
SCHEMBL13294113 0.81 TRPM5 (0.40) GRM5TRPM5HDAC4
SCHEMBL13839768 0.76 TRPM5 (0.32) TRPM5
SCHEMBL13839773 0.73 INSR (0.34) —
SCHEMBL10104188 0.67 GRM5 (0.44) GRM5TRPM5HDAC4
SCHEMBL14392938 0.65 GRM5 (0.38) GRM5TRPM5HDAC4
SCHEMBL10104231 0.65 GRM5 (0.44) GRM5TRPM5HDAC4
SCHEMBL15337731 0.64 GRM5 (0.41) GRM5TRPM5HDAC4
SCHEMBL19903927 0.64 GRM5 (0.42) GRM5TRPM5HDAC4
SCHEMBL13294089 0.63 RELA (0.42) —
SCHEMBL3835370 0.63 RELA (0.42) —

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-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 — — US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 — — US disclosed
EP-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 — — 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 (1 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-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST GRM5 3507/4885TRPM5 755/4885HDAC4 2429/4885

“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.

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