SCHEMBL872295

SCHEMBL872295

NC(CCO)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
EGFR P00533 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK1 Q15118 1/20 0.35
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL4924646 0.88 BACE1 (0.41) BACE1ESR1ESR2GRM8GRM4
SCHEMBL13860610 0.79 ALDH1A1 (0.54) GRM8GRM4PDK1MEN1KMT2A
SCHEMBL3368315 0.76 PLA2G4A (0.46) BACE1GRM8GRM4MAPK1HSD17B10
SCHEMBL3372594 0.76 PLA2G4A (0.46) BACE1GRM8GRM4MAPK1HSD17B10
SCHEMBL3368706 0.73 TTR (0.43) BACE1MEN1KMT2AALDH1A1CA12
SCHEMBL3367384 0.73 TTR (0.43) BACE1MEN1KMT2AALDH1A1CA12
SCHEMBL8796411 0.71 KAT2B (0.52) GRM8GRM4MAPK1MEN1KMT2A
SCHEMBL724360 0.71 GRM4 (0.39) BACE1ESR1ESR2GRM8GRM4
SCHEMBL16816921 0.71 GRM4 (0.39) BACE1ESR1ESR2GRM8GRM4
SCHEMBL28135355 0.70 SNCA (0.47) BACE1ESR1ESR2EGFRALOX15

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639262-B2 Toning shampoo with improved colour performance HENKEL AG & CO. KGAA (DE) 2020-05-05 US claimed
EP-0835093-B1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER HANS SCHWARZKOPF & HENKEL GMBH (DE) 2004-03-10 EP claimed
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed
EP-1890669-B1 CATIONIC OLIGOMERIC AZO DYES BASF SE (DE) 2016-08-10 EP disclosed
US-20160208103-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-21 US disclosed
EP-3041904-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-13 EP disclosed
EP-2052034-B1 THIOL DERIVATIVE DYES BASF SE (DE) 2016-06-08 EP disclosed
CN-105492544-A Styryl sulfide dyes BASF SE 2016-04-13 CN disclosed
CN-102471596-B Polymeric hair dyes BASF SE (DE) 2015-09-09 CN disclosed
WO-2015059368-A1 METHOD FOR DYEING KERATIN FIBRES USING CATIONIC STYRYL DISULPHIDE DYES, AND COMPOSITION INCLUDING SAID DYES L'OREAL (FR) 2015-04-30 WO disclosed
WO-2015028543-A1 STYRYL SULFIDE DYES BASF SE (DE) 2015-03-05 WO disclosed
EP-1438006-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS Ciba SC Holding AG (CH) 2004-07-21 EP disclosed
EP-1430102-A1 CATIONIC REACTIVE DYES Ciba SC Holding AG (CH) 2004-06-23 EP disclosed
WO-2004019896-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
WO-2004019897-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
WO-2003076518-A2 PROCESS FOR EXCHANGING THE ANIONS OF CATIONIC COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-18 WO disclosed
WO-2003070207-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-28 WO disclosed
WO-2003060015-A1 YELLOW CATIONIC DYES FOR DYING OF ORGANIC MATERIAL CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2003-07-24 WO disclosed
WO-2003032939-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed
WO-2003029359-A1 CATIONIC REACTIVE DYES CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2003-04-10 WO 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 (2 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-20160208103-A1 STYRYL SULFIDE DYES C1R, C1S, C5 BACE1 2734/4885ESR1 2130/4885ESR2 1792/4885
US-10639262-B2 Toning shampoo with improved colour performance KRT18, SMURF1, PRKDC BACE1 3964/4885ESR1 4871/4885ESR2 4768/4885

“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.