SCHEMBL3302315

SCHEMBL3302315

COc1cc(-c2cccc(COc3ccc(C(=O)O)c(O)c3)c2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.55
▸ FFAR1 O14842 5/20 0.53
▸ PPARD Q03181 3/20 0.53
▸ MAOB P27338 4/20 0.52
▸ MAOA P21397 3/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ ANO1 Q5XXA6 1/20 0.49
▸ ERN1 O75460 1/20 0.49
▸ PARP15 Q460N3 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL3303245 0.87 FFAR1 (0.54) FFAR1PPARDMAOBMAOANR4A2
SCHEMBL3297208 0.87 FFAR1 (0.61) MCL1FFAR1PPARDMAOBMAOA
SCHEMBL3296263 0.85 NR4A2 (0.67) MCL1FFAR1MAOBMAOANR4A2
SCHEMBL3294951 0.84 FFAR1 (0.54) FFAR1PPARDMAOBMAOAPARP15
SCHEMBL3294945 0.82 ANO1 (0.60) MCL1FFAR1PPARDMAOBMAOA
SCHEMBL3293601 0.82 PTGER4 (0.56) MCL1MAOBMAOASMN1; SMN2
SCHEMBL3299012 0.82 NR4A2 (0.70) NR4A2TP53PKMNFKB1RAB9A
SCHEMBL3296180 0.81 MCL1 (0.57) MCL1FFAR1PPARDMAOBMRGPRX4
SCHEMBL3301459 0.81 MAOB (0.61) MCL1MAOBMAOANR4A2MRGPRX4
SCHEMBL3302205 0.81 MRGPRX4 (0.60) MCL1MAOBMAOANR4A2MRGPRX4

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 2555/4885FFAR1 2151/4885PPARD 1450/4885

“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.

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