SCHEMBL3977541

SCHEMBL3977541

CC(Oc1cccnc1)c1cc(N)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.36
MEN1 O00255 1/20 0.36
PSIP1 O75475 1/20 0.36
AXL P30530 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALOX5 P09917 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4D Q08499 1/20 0.34
DAO P14920 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL6535617 0.86 CHRNB2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4LMNA
SCHEMBL3968067 0.83 CYP3A4 (0.42) LMNATDP1MEN1ALOX5ALDH1A1
SCHEMBL3969449 0.79 ALOX5 (0.41) TDP1MEN1ALOX5HTTALDH1A1
SCHEMBL3975247 0.76 TDP1 (0.46) TDP1MEN1ALOX5ALDH1A1
SCHEMBL5681756 0.73 MEN1 (0.48) TDP1MEN1HTTALDH1A1
SCHEMBL3970430 0.72 PDE10A (0.42) LMNATDP1MEN1ALOX5ALDH1A1
SCHEMBL453949 0.71 SMN1; SMN2 (0.40) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL3968205 0.71 ALOX5 (0.35) LMNATDP1MEN1ALOX5HTT
SCHEMBL8140503 0.71 PDE10A (0.45) TDP1MEN1ALOX5HTTALDH1A1
SCHEMBL2264306 0.70 SMN1; SMN2 (0.39) MEN1PSIP1AXLMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359890-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2009-08-12 EP disclosed
US-6673934-B2 4-AMINO-2-(1-ARYLOXY-ETHYL)PHENOL COMPOUND THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359890-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020157192-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-31 US disclosed
WO-2002058631-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-01 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-20020157192-A1 Primary intermediates for oxidative coloration of hair AOX1, CYC1, CBR1 CHRNB4 2279/4885CHRNA3 2734/4885CHRNB2 2992/4885

“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.