SCHEMBL3086111

SCHEMBL3086111

O=Cc1cc(CN2CCCCC2)c(O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.61
ALDH1A1 P00352 3/20 0.52
LMNA P02545 4/20 0.48
TP53 P04637 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 2/20 0.47
ALOX12 P18054 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
METAP2 P50579 1/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MPI P34949 1/20 0.47

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
SCHEMBL3104031 0.99 ERN1 (0.59) ERN1ALDH1A1LMNATP53MAPK1
SCHEMBL3086221 0.86 ERN1 (0.62) ERN1ALDH1A1LMNATP53TSHR
SCHEMBL3093036 0.85 ATM (0.47) ERN1ALDH1A1LMNAKDM4EATM
SCHEMBL3103888 0.84 TSHR (0.56) ERN1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL3096938 0.81 ERN1 (0.53) ERN1ALDH1A1LMNATP53MAPK1
SCHEMBL3103659 0.81 TSHR (0.46) ERN1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL3081065 0.79 ERN1 (0.51) ERN1ALDH1A1LMNATP53MAPK1
SCHEMBL12767744 0.76 ERN1 (1.00) ERN1ALDH1A1LMNATP53MAPK1
SCHEMBL22322105 0.76 ALDH1A1 (0.56) ERN1ALDH1A1LMNAMAPK1TSHR
SCHEMBL20810227 0.74 ERN1 (0.50) ERN1ALDH1A1LMNATP53MAPK1

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 11 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
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 3535/4885ALDH1A1 426/4885LMNA 415/4885

“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.