SCHEMBL6555739

SCHEMBL6555739

C=C1C=C(c2ccccc2)Oc2cc(OC)cc(OC)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 3/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL17924581 0.72 SMN1; SMN2 (0.54) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL13180056 0.70 CYP19A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL14684667 0.69 NR1H4 (0.43) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL12523115 0.68 CYP3A4 (0.53) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL17930308 0.66 MAPT (0.49) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL7227639 0.65 SMN1; SMN2 (0.48) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL5103477 0.65 ABCG2 (0.49) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL5707776 0.64 ABCG2 (0.75) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL5707781 0.64 ABCG2 (0.75) ALDH1A1KDM4EABCG2HSD17B10CYP3A4
SCHEMBL17973515 0.64 ABCG2 (0.37) ALDH1A1KDM4EABCG2HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489142-A1 Cationic dyes, method for the production thereof and colourants containing said compounds Wella Aktiengesellschaft (DE) 2004-12-22 EP claimed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
EP-1397435-A1 CATIONIC DYES, METHOD FOR THE PRODUCTION THEREOF AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-03-17 EP claimed
US-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-02-26 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
WO-2003000799-A1 CATIONIC DYES, METHOD FOR THE PRODUCTION THEREOF AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
EP-1489142-A1 Cationic dyes, method for the production thereof and colourants containing said compounds Wella Aktiengesellschaft (DE) 2004-12-22 EP disclosed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP disclosed
EP-1397435-A1 CATIONIC DYES, METHOD FOR THE PRODUCTION THEREOF AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-02-26 US disclosed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
WO-2003000799-A1 CATIONIC DYES, METHOD FOR THE PRODUCTION THEREOF AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO disclosed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 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-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds TYR, MPO, NISCH ALDH1A1 646/4885KDM4E 2777/4885ABCG2 990/4885
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 ALDH1A1 9/4885KDM4E 3406/4885ABCG2 2980/4885

“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.