SCHEMBL4615391

SCHEMBL4615391

CCc1sc(=O)n(C)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
AR P10275 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4616024 0.77 HSD17B10 (0.40) ALDH1A1MAPTHSD17B10CYP2C19GAA
SCHEMBL4614657 0.77 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HSD17B10CYP2C19
Oxalic Acid SCHEMBL11726428 0.72 SIGMAR1 (0.41) KDM4E
SCHEMBL4615664 0.70 ALOX5 (0.42) ALDH1A1MAPTHSD17B10CYP2C19L3MBTL1
SCHEMBL4616581 0.69 CYP1A2 (0.42) ALDH1A1MAPTL3MBTL1GAAKDM4E
SCHEMBL4616717 0.69 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2HSD17B10CYP2C19
SCHEMBL4616420 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2C19GAAKDM4E
SCHEMBL4614726 0.66 CDK2 (0.39) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL28270058 0.65 MAPT (0.48) ALDH1A1MAPTHSD17B10L3MBTL1HPGD
SCHEMBL4616052 0.63 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10L3MBTL1KDM4E

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 26 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
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 (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 ALDH1A1 727/4885MAPT 1718/4885SMN1; SMN2 2119/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 ALDH1A1 137/4885MAPT 1792/4885SMN1; SMN2 3816/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT ALDH1A1 494/4885MAPT 1013/4885SMN1; SMN2 4575/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B ALDH1A1 129/4885MAPT 2255/4885SMN1; SMN2 4294/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 ALDH1A1 561/4885MAPT 1335/4885SMN1; SMN2 4066/4885

“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.