SCHEMBL3086221

SCHEMBL3086221

O=Cc1cc(CN2CCOCC2)c(O)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.62
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP2C9 P11712 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
METAP2 P50579 1/20 0.49
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 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
SCHEMBL3104031 0.88 ERN1 (0.59) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL3086111 0.86 ERN1 (0.61) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL3093036 0.83 ATM (0.47) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL3084230 0.82 CYP2C9 (0.58) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL3103659 0.79 TSHR (0.46) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL7559226 0.78 CYP2C9 (0.61) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL5075020 0.77 CYP2A13 (0.58) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL1527117 0.77 ERN1 (1.00) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL16119943 0.77 ERN1 (0.53) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL3103888 0.77 TSHR (0.56) ERN1ALDH1A1KDM4EKMT2AGAA

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 9 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
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 426/4885KDM4E 1842/4885

“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.