SCHEMBL3296013

SCHEMBL3296013

O=C(O)c1ccc(OCc2cccc(-c3ccc4[nH]ccc4c3)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.49
MCL1 Q07820 1/20 0.49
NR4A2 P43354 1/20 0.47
MAOB P27338 4/20 0.46
DHODH Q02127 3/20 0.46
NPC1 O15118 1/20 0.45
MAOA P21397 3/20 0.45
ANO1 Q5XXA6 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
FFAR1 O14842 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL3294945 0.84 ANO1 (0.60) MCL1NR4A2MAOBMAOAANO1
SCHEMBL3296263 0.83 NR4A2 (0.67) MCL1NR4A2MAOBMAOAMRGPRX4
SCHEMBL3299012 0.82 NR4A2 (0.70) NR4A2MRGPRX4
SCHEMBL2828539 0.81 FFAR1 (0.69) FFAR1
SCHEMBL3302205 0.79 MRGPRX4 (0.60) MCL1NR4A2MAOBMAOAMRGPRX4
SCHEMBL3301459 0.79 MAOB (0.61) MCL1NR4A2MAOBMAOAMRGPRX4
SCHEMBL3296016 0.78 NR4A2 (0.54) MCL1NR4A2MAOBMAOAMRGPRX4
SCHEMBL3299848 0.78 MAOB (0.62) MCL1NR4A2MAOBMAOAMRGPRX4
SCHEMBL3297208 0.78 FFAR1 (0.61) MCL1NR4A2MAOBMAOAANO1
SCHEMBL3296031 0.77 MCL1 (0.47) MCL1NR4A2MAOBMAOAANO1

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 ENPP2 818/4885MCL1 2555/4885NR4A2 2061/4885

“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.