SCHEMBL652962

SCHEMBL652962

CC(=O)Oc1cc(CBr)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.44
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS2 P35354 1/20 0.39
PTGS1 P23219 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 2/20 0.36
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL14860053 0.86 MTNR1A (0.45) CYP4F2CYP4A11KDM4EALDH1A1LMNA
SCHEMBL8003987 0.84 CFD (0.48) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL31343490 0.84 CFD (0.48) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL9417955 0.82 CYP4F2 (0.59) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL6403165 0.81 CFD (0.62) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL14860162 0.80 CYP4F2 (0.46) CYP4F2CYP4A11AKT1SLC7A5EGFR
SCHEMBL28428155 0.80 CYP4F2 (0.42) CYP4F2CYP4A11MTNR1AMTNR1BAKT1
SCHEMBL1822013 0.80 MTNR1A (0.51) CFDCYP4F2CYP4A11KDM4EPTGS1
SCHEMBL22032174 0.78 CYP4F2 (0.44) CYP4F2CYP4A11MTNR1AMTNR1BAKT1
SCHEMBL14860108 0.78 CYP4F2 (0.41) CYP4F2CYP4A11AKT1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 CFD 191/4885CYP4F2 493/4885CYP4A11 521/4885

“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.