SCHEMBL3818024

SCHEMBL3818024

C[n+]1c(/C=C/c2cc3c4c(c2)CCCN4CCC3)n(CC(=O)NCCSSCCNC(=O)Cn2c(/C=C/c3cc4c5c(c3)CCCN5CCC4)[n+](C)c3ccccc32)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPY1R P25929 2/20 0.31
▸ NOD2 Q9HC29 2/20 0.30
▸ NOD1 Q9Y239 2/20 0.30
▸ POLB P06746 2/20 0.30
▸ THRB P10828 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ CHRM2 P08172 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
SCHEMBL3818026 1.00 ALDH1A1 (0.33) ALDH1A1GAAMEN1PKMKMT2A
Hydrochloric Acid SCHEMBL3294880 0.99 ALDH1A1 (0.32) ALDH1A1GAAMEN1PKMKMT2A
SCHEMBL13294218 0.93 ALDH1A1 (0.32) ALDH1A1GAAMEN1PKMKMT2A
SCHEMBL13294092 0.82 NPY1R (0.32) ALDH1A1KDM4ENPY1RMTNR1AMTNR1B
SCHEMBL3820058 0.75 ALDH1A1 (0.33) ALDH1A1GAAMEN1PKMKMT2A
SCHEMBL3820056 0.75 ALDH1A1 (0.33) ALDH1A1GAAMEN1PKMKMT2A
Hydrochloric Acid SCHEMBL3292225 0.75 ALDH1A1 (0.33) ALDH1A1GAAMEN1PKMKMT2A
SCHEMBL10104223 0.74 LMNA (0.33) ALDH1A1GAAKMT2AKDM4EMAPT
SCHEMBL10104559 0.73 NPY1R (0.33) ALDH1A1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL10104252 0.72 NPY1R (0.34) ALDH1A1GAANPY1RCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 — — EP disclosed
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
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
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — 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 ALDH1A1 332/4885GAA 4399/4885MEN1 3463/4885

“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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