SCHEMBL13294211

SCHEMBL13294211

C[n+]1c(/C=C/c2ccc(N(CCO)CCO)cc2)n(CC(=O)NCCSSCCNC(=O)Cn2c(CCc3ccc(N(CCO)CCO)cc3)[n+](C)c3ccccc32)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKM P14618 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 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
SCHEMBL3820056 0.92 ALDH1A1 (0.33) LMNAL3MBTL1PKMMEN1RAB9A
SCHEMBL3820058 0.92 ALDH1A1 (0.33) LMNAL3MBTL1PKMMEN1RAB9A
Hydrochloric Acid SCHEMBL3292225 0.91 ALDH1A1 (0.33) LMNAL3MBTL1PKMMEN1RAB9A
SCHEMBL13294218 0.76 ALDH1A1 (0.32) PKMMEN1KMT2AGAAALDH1A1
SCHEMBL3818024 0.69 ALDH1A1 (0.33) LMNAL3MBTL1PKMMEN1KMT2A
SCHEMBL3818026 0.69 ALDH1A1 (0.33) LMNAL3MBTL1PKMMEN1KMT2A
SCHEMBL3834029 0.69 ATM (0.51) LMNAL3MBTL1PKMMEN1RAB9A
Hydrochloric Acid SCHEMBL3290887 0.68 ATM (0.50) LMNAL3MBTL1PKMMEN1RAB9A
SCHEMBL13327489 0.67 CHRM2 (0.38) ALDH1A1
Hydrochloric Acid SCHEMBL3291834 0.66 CHRM2 (0.38) LMNAALDH1A1

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 LMNA 1772/4885L3MBTL1 4010/4885PKM 1566/4885

“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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