SCHEMBL6557145

SCHEMBL6557145

C=C1C=C(c2ccccc2)Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 9/20 0.34
MAPT P10636 6/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HSD17B10 Q99714 3/20 0.34
PKM P14618 2/20 0.34
ALOX12 P18054 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL15452354 0.86 RAB9A (0.39) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL12230342 0.83 MAPT (0.38) MAPTMEN1KMT2ANPSR1RAB9A
SCHEMBL14684667 0.82 NR1H4 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6555925 0.80 NPC1 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6555659 0.80 ALOX5 (0.44) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL6790824 0.78 BACE1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6557114 0.74 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL16708592 0.74 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10044913 0.73 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16520790 0.73 MAPT (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A

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 27 patents — showing the first 20. 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
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
EP-2730431-A1 Rubber composition and tire with rubber containing flavone The Goodyear Tire & Rubber Company (US) 2014-05-14 EP disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
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 (3 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 CYP2A6 559/4885ALDH1A1 646/4885MAPT 3703/4885
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 CYP2A6 365/4885ALDH1A1 9/4885MAPT 1389/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 CYP2A6 1369/4885ALDH1A1 1805/4885MAPT 4039/4885

“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.