SCHEMBL13294129

SCHEMBL13294129

N=C(N)SCCCCCC[n+]1c(/C=C/c2ccc(N(CCO)CCO)cc2)sc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 19/20 0.62
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
Iodide SCHEMBL8390160 0.76 INSR (0.98) INSR
Iodide SCHEMBL8390162 0.76 INSR (0.98) INSR
SCHEMBL14984167 0.74 INSR (0.91) INSR
SCHEMBL14984200 0.74 INSR (0.91) INSR
SCHEMBL13206628 0.74 INSR (0.68) INSRPOLBHTTL3MBTL1
Iodide SCHEMBL8390009 0.73 INSR (0.98) INSR
Iodide SCHEMBL8390007 0.73 INSR (0.98) INSR
SCHEMBL3941043 0.72 INSR (0.59) INSR
SCHEMBL13294128 0.71 INSR (0.50) INSRPKMHTTKMT2AL3MBTL1
Bromide SCHEMBL8391004 0.71 INSR (0.77) INSRPKMHTTKMT2AL3MBTL1

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 INSR 4743/4885MEN1 3463/4885ALDH1A1 332/4885

“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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