SCHEMBL4616420

SCHEMBL4616420

CCCn1c(-c2ccccc2)c(-c2ccccc2)sc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 1/20 0.41
ADORA2B P29275 9/20 0.40
ADORA2A P29274 6/20 0.40
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
CYP2C9 P11712 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 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
SCHEMBL4616302 0.91 TSHR (0.47) ALDH1A1KDM4EADORA2BHSD17B10MEN1
SCHEMBL4614443 0.79 ALDH1A1 (0.47) ALDH1A1ADORA2BADORA2AHSD17B10MEN1
SCHEMBL4616024 0.78 HSD17B10 (0.40) ALDH1A1KDM4EGAAHSD17B10CYP2C19
SCHEMBL4615485 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EGAAADORA2BADORA2A
SCHEMBL4615482 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EGAAADORA2BADORA2A
SCHEMBL4613599 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EGAAADORA2BHSD17B10
SCHEMBL5281004 0.73 MAPT (0.34) ALDH1A1KDM4EGAAADORA2BADORA2A
SCHEMBL5293037 0.73 MAPT (0.34) ALDH1A1KDM4EGAAADORA2BADORA2A
SCHEMBL4615664 0.71 ALOX5 (0.42) ALDH1A1KDM4EGAAHSD17B10MEN1
SCHEMBL4616581 0.70 CYP1A2 (0.42) ALDH1A1KDM4EGAAADORA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP claimed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO claimed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US claimed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US claimed
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US disclosed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO disclosed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US disclosed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US 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 (4 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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 ALDH1A1 727/4885KDM4E 1120/4885GAA 2032/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 ALDH1A1 137/4885KDM4E 1510/4885GAA 1624/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT ALDH1A1 494/4885KDM4E 1848/4885GAA 4390/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 ALDH1A1 561/4885KDM4E 1565/4885GAA 2328/4885

“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.