SCHEMBL3081065

SCHEMBL3081065

O=Cc1cc(CN2CCCC2)c(O)c(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.51
ACHE P22303 2/20 0.45
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 5/20 0.40
ALOX15 P16050 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
GLA P06280 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3096938 0.98 ERN1 (0.53) ERN1ACHEMAPTL3MBTL1NPSR1
SCHEMBL3084230 0.86 CYP2C9 (0.58) ERN1MAPTL3MBTL1NPSR1MAPK1
SCHEMBL20810227 0.81 ERN1 (0.50) ERN1ACHEMAPTL3MBTL1NPSR1
SCHEMBL3104031 0.80 ERN1 (0.59) ERN1ACHEMAPTL3MBTL1NPSR1
SCHEMBL3086111 0.79 ERN1 (0.61) ERN1L3MBTL1NPSR1MAPK1TSHR
SCHEMBL7517968 0.78 ALDH1A1 (0.52) ERN1ACHEMAPTL3MBTL1NPSR1
SCHEMBL20462857 0.76 ERN1 (0.49) ERN1MAPTL3MBTL1NPSR1MAPK1
SCHEMBL30809951 0.75 ERN1 (0.56) ERN1ACHEMAPTL3MBTL1NPSR1
SCHEMBL3086171 0.75 ERN1 (0.60) ERN1ACHEMAPTMAPK1TSHR
SCHEMBL3093782 0.74 ERN1 (0.63) ERN1ACHEMAPK1TSHRGFER

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US claimed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US claimed
EP-2069022-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN Henkel AG & Co. KGaA (DE) 2009-06-17 EP claimed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 WO claimed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
EP-2069022-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN Henkel AG & Co. KGaA (DE) 2009-06-17 EP disclosed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 WO disclosed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 WO 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 (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-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS KRT18, CRYAA, CKAP4 ERN1 3535/4885ACHE 3116/4885MAPT 423/4885

“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.