SCHEMBL3296390

SCHEMBL3296390

O=C(O)c1ccc(OCc2cccc(-c3cccc4ccccc34)c2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.55
ACMSD Q8TDX5 1/20 0.55
MAOB P27338 4/20 0.52
P2RY14 Q15391 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
NR4A2 P43354 1/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
FFAR1 O14842 4/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
MAOA P21397 3/20 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
SCHEMBL3296263 0.85 NR4A2 (0.67) MCL1ACMSDMAOBMRGPRX4NR4A2
SCHEMBL3294945 0.85 ANO1 (0.60) MCL1ACMSDMAOBMRGPRX4NR4A2
SCHEMBL9534579 0.80 MCL1 (0.78) MCL1ACMSDNR4A2
SCHEMBL1519064 0.80 MAOB (0.77) MCL1MAOBNR4A2MAOA
SCHEMBL3299012 0.80 NR4A2 (0.70) MRGPRX4NR4A2CYP4F2CYP4A11
SCHEMBL1745416 0.80 FFAR1 (0.74) FFAR1FFAR4
SCHEMBL25309677 0.79 MRGPRX4 (0.60) MCL1MAOBMRGPRX4MAOA
SCHEMBL3296016 0.79 NR4A2 (0.54) MCL1MAOBMRGPRX4NR4A2FFAR1
SCHEMBL3294951 0.78 FFAR1 (0.54) MAOBMRGPRX4CYP4F2CYP4A11FFAR1
SCHEMBL3299848 0.78 MAOB (0.62) MCL1MAOBMRGPRX4NR4A2MAOA

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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 MCL1 2555/4885ACMSD 3931/4885MAOB 2939/4885

“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.