SCHEMBL135923

SCHEMBL135923

N#CCC(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
POLB P06746 6/20 0.53
HSD17B10 Q99714 5/20 0.53
HPGD P15428 4/20 0.53
RECQL P46063 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALOX15 P16050 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
MAPT P10636 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PTPN1 P18031 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
AGTR1 P30556 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
SCHEMBL9331451 0.82 ALDH1A1 (0.55) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL11218386 0.81 CES2 (0.53) ALDH1A1POLBHSD17B10HPGDRECQL
Water SCHEMBL28227846 0.78 ALDH1A1 (0.58) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL1651850 0.77 CES2 (0.70) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL6320074 0.77 ERCC5 (0.74) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL1677280 0.77 POLB (0.62) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL18341929 0.77 ALDH1A1 (0.49) ALDH1A1POLBHSD17B10HPGDRECQL
Water SCHEMBL28207792 0.76 ALDH1A1 (0.56) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL51450 0.75
SCHEMBL7070914 0.75 ERCC5 (0.71) ALDH1A1POLBHSD17B10HPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588894-A Furan-containing pyridine bipyrazole formamide derivatives, and preparation method and application thereof 河北农业大学 2017-04-26 CN claimed
CN-106083831-A Furan-containing phenyl dipyrazole formamide derivatives, and preparation method and application thereof 河北农业大学 2016-11-09 CN claimed
EP-2358343-B1 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
CN-105949179-A Furan-containing pyrimidine dipyrazole formamide derivatives, and preparation method and application thereof 河北农业大学 2016-09-21 CN 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
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-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-2006029672-A1 PRODUCTS FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO claimed
WO-2006029687-A1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
US-4716237-A Process for the production of 3-oxonitriles DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-12-29 US 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 (3 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 ALDH1A1 1067/4885POLB 421/4885HSD17B10 1343/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR ALDH1A1 195/4885POLB 2045/4885HSD17B10 70/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 ALDH1A1 77/4885POLB 2891/4885HSD17B10 181/4885

“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.