SCHEMBL925112

SCHEMBL925112

Cc1cc(C(=O)CC#N)c(C)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.46
KCNH2 Q12809 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 2/20 0.43
BRCA1 P38398 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.39
ALPL P05186 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPC1 O15118 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
SCHEMBL923003 0.80 CYP1A2 (0.43) MAPTKDM4ERAB9AKCNH2CYP1A2
SCHEMBL923337 0.79 CYP1A2 (0.48) MAPTKDM4ERAB9AKCNH2CYP1A2
SCHEMBL2340887 0.77 MAPT (0.58) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL6368454 0.76 MAPT (0.56) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL9375468 0.76 MAPT (0.61) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL923441 0.75 NPC1 (0.63) MAPTKDM4ERAB9AKCNH2CYP1A2
Hydrochloric Acid SCHEMBL9373275 0.74 MAPT (0.59) MAPTKDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL2557513 0.73 MAPT (0.53) MAPTKDM4ERAB9AHSD17B10ALDH1A1
Bromide SCHEMBL7518696 0.73 MAPT (0.53) MAPTKDM4ERAB9AHSD17B10ALDH1A1
Bromide SCHEMBL7518700 0.73 MAPT (0.53) MAPTKDM4ERAB9AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358343-B1 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
US-8268015-B2 Method for decolorizing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2012-09-18 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20110247644-A1 Method for Decolorizing Keratin-Containing Fibers HENKEL AG & CO. KGAA (DE) 2011-10-13 US claimed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
EP-2054012-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2009-05-06 EP claimed
WO-2009027237-A2 KIT FOR THE PROVISION OF COLORANTS HENKEL AG & CO. KGAA (DE) 2009-03-05 WO claimed
EP-1796627-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2009-03-04 EP claimed
EP-1789007-A1 PRODUCTS FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2006131163-A1 MULTICOMPONENT COMPOSITION FOR DYEING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
WO-2006119820-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
WO-2006119818-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
WO-2006077039-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-07-27 WO claimed
WO-2006040015-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-04-20 WO claimed
WO-2006029687-A1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO claimed
WO-2006029672-A1 PRODUCTS FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO claimed

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-20110247644-A1 Method for Decolorizing Keratin-Containing Fibers KRT18, PLOD3, DSG1 MAPT 125/4885KDM4E 508/4885RAB9A 4093/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 MAPT 446/4885KDM4E 1659/4885RAB9A 1786/4885

“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.