SCHEMBL1426656

SCHEMBL1426656

Cc1cc(C=O)cc[n+]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
ALDH1A1 P00352 10/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A3 P47895 2/20 0.34
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
HPGD P15428 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
FDPS P14324 1/20 0.32
UNG P13051 1/20 0.31
TYR P14679 1/20 0.31
CYP2A13 Q16696 1/20 0.31

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
SCHEMBL29915716 1.00 CYP2A6 (0.39) CYP2A6ALDH1A1TSHRKDM4EPTGS2
SCHEMBL4829147 0.82 CHAT (0.44) ALDH1A1TSHRKDM4ERAB9AHDAC8
SCHEMBL12161660 0.78 KDM4E (0.40) CYP2A6ALDH1A1TSHRKDM4EPTGS2
SCHEMBL4829142 0.77
SCHEMBL305827 0.77 CYP2A6 (0.38) CYP2A6ALDH1A1TSHRKDM4EPTGS2
SCHEMBL6033654 0.69 QDPR (0.37) KDM4ETDP1
SCHEMBL2297527 0.69
SCHEMBL1425978 0.69
Iodide SCHEMBL989753 0.67 ACHE (0.35) CYP2A6KDM4ETDP1
Iodide SCHEMBL7049251 0.67 HDAC8 (0.54) CYP2A6ALDH1A1KDM4ERAB9AHPGD

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 334 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
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
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
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-2014275-A2 Kit for preparing storage-stable formulations Henkel AG & Co. KGaA (DE) 2009-01-14 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS 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
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES 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 (1 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 CYP2A6 1289/4885ALDH1A1 1067/4885TSHR 4379/4885

“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.