SCHEMBL4616213

SCHEMBL4616213

O=c1scc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.50
GSK3A P49840 4/20 0.50
PTGS2 P35354 4/20 0.48
ALOX5 P09917 3/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
TSHR P16473 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL4622748 0.96 GSK3B (0.47) GSK3BGSK3APTGS2ALOX5CA12
SCHEMBL4622751 0.86 GSK3B (0.44) GSK3BGSK3APTGS2ALOX5CA12
SCHEMBL4616451 0.84 KMT2A (0.57) GSK3BGSK3APTGS2CA12CA1
SCHEMBL8071998 0.83 CA12 (0.63) PTGS2CA12CA1CA2CA9
SCHEMBL15965314 0.77 EGFR (0.45) PTGS2ALOX5CA12CA1CA2
Hydrochloric Acid SCHEMBL15952788 0.76 EGFR (0.44) PTGS2ALOX5CA12CA1CA2
SCHEMBL4616052 0.74 ALDH1A1 (0.43) GSK3BGSK3ATSHRALDH1A1HPGD
SCHEMBL4616053 0.74 CYP1A2 (0.61) GSK3BGSK3AGAAMEN1ALDH1A1
SCHEMBL11400687 0.74 L3MBTL1 (0.47) CA12CA1CA2CA9TSHR
SCHEMBL6726157 0.73 PTGS2 (0.39) PTGS2ALOX5CA12CA1CA2

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 28 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-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 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-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US disclosed
US-4151162-A Diazomerocyanines and mesomeric forms thereof L'OREAL (FR) 1979-04-24 US disclosed
US-3985499-A Diazamerocyanines for dyeing keratinous fibers L'OREAL (FR) 1976-10-12 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 (5 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 3976/4885PTGS2 2368/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 GSK3B 3633/4885GSK3A 3537/4885PTGS2 1485/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT GSK3B 3508/4885GSK3A 3423/4885PTGS2 3150/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B GSK3B 2738/4885GSK3A 2495/4885PTGS2 1907/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 GSK3B 2689/4885GSK3A 2544/4885PTGS2 2109/4885

“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.