SCHEMBL4460431

SCHEMBL4460431

COc1cccc(C2(c3cccc(OC)c3)Oc3ccc(C(=O)O)cc3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CNR1 P21554 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
MITF O75030 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
CSNK2A1 P68400 2/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TTR P02766 1/20 0.42
CYP2C8 P10632 1/20 0.41

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
SCHEMBL4463307 0.84 MAPT (0.46) KDM4ENPC1RAB9ACTNNB1WNT3A
SCHEMBL8728950 0.81 CNR1 (0.63) CNR1MRGPRX4CTNNB1WNT3ATTR
SCHEMBL30257325 0.81 CNR1 (0.63) CNR1MRGPRX4CTNNB1WNT3ATTR
SCHEMBL4466654 0.81 CNR1 (0.71) CNR1NPC1RAB9AGAAPKM
SCHEMBL9040996 0.80 CNR1 (0.62) CNR1MRGPRX4CTNNB1WNT3ATTR
SCHEMBL4472949 0.80 CNR1 (0.49) HCAR2CNR1NPC1RAB9AMRGPRX4
SCHEMBL5031503 0.77 HCAR2 (0.47) HCAR2KDM4ENPC1RAB9AMITF
SCHEMBL63427 0.73 CES2 (0.74) KDM4ENPC1RAB9AMITFMRGPRX4
SCHEMBL29351426 0.73 CES2 (0.74) KDM4ENPC1RAB9AMITFMRGPRX4
SCHEMBL6827745 0.73 CES2 (0.74) KDM4ENPC1RAB9AMITFMRGPRX4

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
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (2 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 HCAR2 74/4885KDM4E 1037/4885CNR1 2/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 HCAR2 118/4885KDM4E 1271/4885CNR1 1/4885

“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.