SCHEMBL3298362

SCHEMBL3298362

Oc1[c]ccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALOX5 P09917 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MAOB P27338 8/20 0.49
NR4A2 P43354 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 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
SCHEMBL2093026 0.81 ALOX5 (0.53) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL11013737 0.80 CYP1A2 (0.56) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL539028 0.79 MAOB (0.53) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL4073708 0.79 ALOX5 (0.51) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL920621 0.79 ALOX5 (0.51) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL4599510 0.79 MAOB (0.57) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL15474876 0.79 MAOB (0.57) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL15474587 0.78 ALOX5 (0.50) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL15474702 0.78 PARP10 (0.48) CYP1A2LMNAMEN1KMT2AKDM4E
SCHEMBL3948493 0.77 MAOB (0.58) CYP1A2LMNAPTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136804-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS ASTON UNIVERSITY (GB) 2010-12-02 WO claimed
WO-2010136804-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS ASTON UNIVERSITY (GB) 2010-12-02 WO 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
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO disclosed
CN-1503798-A Antidepressant azaheterocyclylmethyl derivatives of oxacyclo-fused- [1,4] benzodioxans 2004-06-09 CN disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
WO-1996019438-A1 AN ENANTIOSELECTIVE SYNTHESIS OF CERTAIN HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 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 CYP1A2 3022/4885LMNA 1651/4885PTGS1 1925/4885

“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.