SCHEMBL4622167

SCHEMBL4622167

CCCCn1c(C)c(C)sc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 7/20 0.48
RGS8 P57771 5/20 0.46
GSK3B P49841 2/20 0.46
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3A P49840 1/20 0.36
PGR P06401 2/20 0.35
RORA P35398 2/20 0.35
RORC P51449 2/20 0.35
RORB Q92753 2/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
PTGS2 P35354 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL4620773 0.88 GSK3B (0.38) RGS4RGS8GSK3BGSK3AMAPT
SCHEMBL4615299 0.79 GSK3B (0.40) RGS4RGS8GSK3BGSK3A
SCHEMBL4621569 0.78 HSD17B10 (0.37) GAATSHRCNR1CNR2
SCHEMBL942848 0.76 RGS4 (0.36) RGS4RGS8GSK3BTDP1L3MBTL1
SCHEMBL5342511 0.75 GSK3A (0.31) GSK3BGSK3A
Iodide SCHEMBL945029 0.74 RAB9A (0.39) RGS4RGS8GSK3BTDP1L3MBTL1
SCHEMBL4620034 0.72 CNR2 (0.39) RGS4RGS8GSK3BL3MBTL1TSHR
SCHEMBL4620035 0.72 CNR2 (0.39) RGS4RGS8GSK3BL3MBTL1TSHR
SCHEMBL4114417 0.71 RAB9A (0.37) RGS4MAPTATMFAAHMGLL
SCHEMBL9520707 0.68 CNR2 (0.33) CNR2

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-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
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
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
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP claimed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 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

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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 RGS4 3513/4885RGS8 3373/4885GSK3B 3888/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT RGS4 4434/4885RGS8 3857/4885GSK3B 3508/4885

“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.