SCHEMBL13294103

SCHEMBL13294103

Cn1c(/C=C/c2cc3c4c(c2)CCCN4CCC3)[n+](CCSSCC[n+]2c(/C=C/c3cc4c5c(c3)CCCN5CCC4)n(C)c3ccccc32)c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL13294092 0.84 NPY1R (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13839753 0.84 — —
SCHEMBL13294127 0.77 SNCA (0.43) KMT2A
SCHEMBL10104165 0.73 KMT2A (0.39) RAD52KMT2ARXFP1ACHE
SCHEMBL3835370 0.73 RELA (0.42) RAD52KMT2AACHE
SCHEMBL13294089 0.73 RELA (0.42) RAD52KMT2AACHE
Bromide SCHEMBL3297144 0.72 INSR (0.41) RAD52KMT2AACHE
SCHEMBL10104234 0.72 KMT2A (0.35) RAD52KMT2ARXFP1
SCHEMBL3818026 0.71 ALDH1A1 (0.33) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL3818024 0.71 ALDH1A1 (0.33) KMT2ACHRM2CHRM4CHRM5CHRM1

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-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

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 RAD52 1708/4885KMT2A 2847/4885RXFP1 4083/4885

“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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