SCHEMBL4428207

SCHEMBL4428207

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.51
TSHR P16473 1/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ROCK2 O75116 1/20 0.43
PTPRC P08575 1/20 0.42
PTPRF P10586 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 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
SCHEMBL1503865 0.87 MAPK1 (0.51) OPRD1TSHRGAAL3MBTL1ALDH1A1
SCHEMBL4436629 0.83 OPRD1 (0.45) OPRD1TSHRGAAPTPRCPLA2G4A
SCHEMBL12890137 0.80 LMNA (0.48) TSHRGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL1857270 0.78 PTGS2 (0.50) TSHRGAAALDH1A1KDM4EMAPT
SCHEMBL4986643 0.78 OPRD1 (0.47) OPRD1TSHRGAAL3MBTL1ALDH1A1
SCHEMBL21394881 0.75 LMNA (0.47) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL142307 0.74 KDM4E (0.53) TSHRGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL1504586 0.71 ALDH1A1 (0.48) GAAALDH1A1LMNAKMT2AMAPK1
SCHEMBL2068258 0.71 LMNA (0.51) TSHRGAAALDH1A1KDM4EMAPT
SCHEMBL2034671 0.71 LMNA (0.51) TSHRGAAALDH1A1KDM4EMAPT

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 3 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
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 1169/4885TSHR 294/4885GAA 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.