SCHEMBL3820058

SCHEMBL3820058

C[n+]1c(C=Cc2ccc(N(CCO)CCO)cc2)n(CC(=O)NCCSSCCNC(=O)Cn2c(C=Cc3ccc(N(CCO)CCO)cc3)[n+](C)c3ccccc32)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 2/20 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
SCHEMBL3820056 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1MAPTHTT
Hydrochloric Acid SCHEMBL3292225 0.99 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL13294211 0.92 LMNA (0.32) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL3818026 0.75 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL3818024 0.75 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL3834029 0.74 ATM (0.51) ALDH1A1KMT2AMEN1MAPTHTT
Hydrochloric Acid SCHEMBL3290887 0.73 ATM (0.50) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL13327489 0.73 CHRM2 (0.38) ALDH1A1TSHRACHE
Hydrochloric Acid SCHEMBL3291834 0.72 CHRM2 (0.38) ALDH1A1TSHRLMNAACHEPOLB
SCHEMBL13294100 0.71 KDM4E (0.35) ALDH1A1KMT2AMEN1HTTLMNA

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-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 ALDH1A1 332/4885KMT2A 2847/4885MEN1 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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