SCHEMBL4430838

SCHEMBL4430838

O=C(O)c1cccc(C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.58
ENPEP Q07075 1/20 0.58
KMO O15229 1/20 0.53
DAO P14920 1/20 0.52
TSHR P16473 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
AKR1C3 P42330 1/20 0.50
MAPT P10636 2/20 0.49
PTGS1 P23219 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
PTGS2 P35354 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL23581249 1.00 ANPEP (0.58) ANPEPENPEPKMODAOTSHR
SCHEMBL23604747 0.89 CA1 (0.55) ANPEPENPEPKMOCA12CA1
SCHEMBL2957369 0.83 ANPEP (0.61) ANPEPENPEPKMODAOTSHR
SCHEMBL11604147 0.82 ANPEP (0.56) ANPEPENPEPKMODAOTSHR
SCHEMBL3346923 0.82 CA1 (0.63) ANPEPENPEPKMODAOTSHR
SCHEMBL4406179 0.81 ANPEP (0.59) ANPEPENPEPKMODAOTSHR
SCHEMBL1237712 0.81 ANPEP (0.59) ANPEPENPEPKMODAOTSHR
SCHEMBL4406176 0.81 ANPEP (0.59) ANPEPENPEPKMODAOTSHR
SCHEMBL11604512 0.81 ANPEP (0.59) ANPEPENPEPKMODAOTSHR
SCHEMBL1552114 0.80 HDAC1 (0.64) ANPEPDAOTSHRNAPRTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
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
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 ANPEP 935/4885ENPEP 760/4885KMO 1240/4885

“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.