SCHEMBL3834029

SCHEMBL3834029

Cc1n(CC(=O)NCCSSCCNC(=O)Cn2c(C)[n+](C)c3ccccc32)c2ccccc2[n+]1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ POLB P06746 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RGS12 O14924 2/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ TP53 P04637 2/20 0.36

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
Hydrochloric Acid SCHEMBL3290887 0.99 ATM (0.50) ATMPOLBTHRBL3MBTL1RGS12
SCHEMBL13839765 0.87 ATM (0.41) ATMPOLBTHRBL3MBTL1RGS12
SCHEMBL13839775 0.85 ATM (0.39) ATMPOLBTHRBL3MBTL1RGS12
SCHEMBL18968650 0.75 KDM4E (0.58) ATMPOLBRGS12APOBEC3AAPOBEC3G
SCHEMBL3820058 0.74 ALDH1A1 (0.33) ATMPOLBTHRBL3MBTL1ALDH1A1
SCHEMBL3820056 0.74 ALDH1A1 (0.33) ATMPOLBTHRBL3MBTL1ALDH1A1
SCHEMBL3933371 0.74 SMN1; SMN2 (0.71) POLBTHRBL3MBTL1ALDH1A1HTT
Hydrochloric Acid SCHEMBL3292225 0.74 ALDH1A1 (0.33) POLBTHRBL3MBTL1ALDH1A1HTT
SCHEMBL3818026 0.72 ALDH1A1 (0.33) POLBTHRBL3MBTL1ALDH1A1HTT
SCHEMBL3818024 0.72 ALDH1A1 (0.33) POLBTHRBL3MBTL1ALDH1A1HTT

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 ATM 2542/4885POLB 2263/4885THRB 1858/4885

“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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