SCHEMBL876926

SCHEMBL876926

C[n+]1ccc(C=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.62
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPSR1 Q6W5P4 4/20 0.57
MAPT P10636 3/20 0.57
RAD52 P43351 2/20 0.57
PKM P14618 2/20 0.57
MAPK1 P28482 2/20 0.57
APP P05067 2/20 0.50
RAB9A P51151 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 3/20 0.48
BLM P54132 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RECQL P46063 1/20 0.48
NSD2 O96028 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RCE1 Q9Y256 1/20 0.46

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
SCHEMBL29357465 1.00 CHAT (0.62) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL4609887 0.90 CHAT (0.53) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL1426695 0.87 HTT (0.47) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL31364648 0.87 HTT (0.47) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL6554349 0.86 CHAT (0.49) CHATHTTSMN1; SMN2NPSR1MAPT
Trifluoromethanesulfonic Acid SCHEMBL7049988 0.85 HTT (0.48) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL3885913 0.83 CHAT (0.46) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL30278762 0.83 CHAT (0.46) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL5165410 0.82 CHAT (0.64) CHATHTTSMN1; SMN2NPSR1MAPT
SCHEMBL5165406 0.82 CHAT (0.64) CHATHTTSMN1; SMN2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873407-A1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING Henkel AG & Co. KGaA (DE) 2021-09-08 EP claimed
EP-2358343-B1 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
US-8268015-B2 Method for decolorizing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2012-09-18 US claimed
EP-1432395-B1 METHOD FOR COLOURING KERATIN FIBRES USING CARBONYL COMPOUNDS TO IMPROVE THE COLOUR STABILITY OF HAIR COLORATION HENKEL AG & CO KGAA (DE) 2012-08-08 EP 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
EP-2358343-A2 METHOD FOR DECOLOURING KERATINOUS FIBRES Henkel AG & Co. KGaA (DE) 2011-08-24 EP claimed
WO-2010072512-A2 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO. KGAA (DE) 2010-07-01 WO claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
WO-2009068362-A1 MEANS FOR SKIN TANNING HENKEL AG & CO. KGAA (DE) 2009-06-04 WO claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030848-A1 METHOD FOR COLOURING KERATIN FIBRES USING CARBONYL COMPOUNDS TO IMPROVE THE COLOUR STABILITY OF HAIR COLORATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030849-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 US claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed
EP-1037586-A1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-27 EP claimed
WO-1999018916-A2 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 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 CHAT 85/4885HTT 624/4885SMN1; SMN2 4173/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 CHAT 990/4885HTT 678/4885SMN1; SMN2 4701/4885

“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.