SCHEMBL4436629

SCHEMBL4436629

O=C(O)c1ccc(=O)n(C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
PLA2G4A P47712 8/20 0.41
GAA P10253 1/20 0.41
TTR P02766 1/20 0.40
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
LTB4R Q15722 2/20 0.39
PTPRC P08575 2/20 0.39
SRD5A2 P31213 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL1504586 0.83 ALDH1A1 (0.48) GAA
SCHEMBL4428207 0.83 OPRD1 (0.51) OPRD1PLA2G4AGAATSHRPTPRC
SCHEMBL1852937 0.77 PTGS2 (0.57) TSHRSRD5A2
SCHEMBL3159104 0.77 HCAR3 (0.49) GAATSHRSRD5A2
SCHEMBL4993099 0.75 TTR (0.42) OPRD1PLA2G4ATTRDAOTSHR
SCHEMBL146048 0.69 KDM4E (0.56) DAOTSHRNAPRTSRD5A2CES2
SCHEMBL1503865 0.69 MAPK1 (0.51) OPRD1GAATSHRPTPRC
SCHEMBL3174187 0.67 IDH1 (0.50) DAOTSHRNAPRTSRD5A2
SCHEMBL480137 0.66 CREBBP (0.58) TSHRSRD5A2
SCHEMBL31702896 0.66 TSHR (0.46) DAOTSHRNAPRTSRD5A2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 OPRD1 1169/4885PLA2G4A 57/4885GAA 4404/4885

“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.