SCHEMBL4620773

SCHEMBL4620773

CCCn1c(C)c(C)sc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.38
GSK3A P49840 2/20 0.38
ALDH1A1 P00352 1/20 0.36
RGS4 P49798 5/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
KDM1A O60341 1/20 0.33
RGS8 P57771 3/20 0.32
ADORA2B P29275 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA2A P29274 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL4622357 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4622249 0.71 CYP3A4 (0.46) ALDH1A1KDM4EADORA2BSMN1; SMN2MAPT
SCHEMBL4622139 0.69 CNR2 (0.35) ALDH1A1SMN1; SMN2MAPT
SCHEMBL15896861 0.65 GSK3B (0.38) GSK3BGSK3AALDH1A1KDM4EADORA2B
SCHEMBL331903 0.65 PDE4A (0.47) GSK3BGSK3AADORA2BCYP1A2CYP3A4
SCHEMBL15330175 0.63 MAPT (0.44) GSK3BGSK3AALDH1A1RGS4KDM4E
SCHEMBL4615852 0.63 L3MBTL1 (0.64) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL942848 0.63 RGS4 (0.36) GSK3BALDH1A1RGS4KDM4ERGS8
SCHEMBL8437857 0.62 PTGS2 (0.39) GSK3BGSK3AALDH1A1RGS4KDM4E
SCHEMBL15897042 0.62 GSK3A (0.35) GSK3BGSK3ARGS4RGS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 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
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-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
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP disclosed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 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 (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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 GSK3B 3888/4885GSK3A 3976/4885ALDH1A1 727/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT GSK3B 3508/4885GSK3A 3423/4885ALDH1A1 494/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 GSK3B 2689/4885GSK3A 2544/4885ALDH1A1 561/4885

“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.