SCHEMBL1467378

SCHEMBL1467378

CC(=O)OCc1cc(CBr)ccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
CFD P00746 1/20 0.34
IDH1 O75874 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL336664 0.84 CYP4F2 (0.49) CYP3A4ALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL21178007 0.79 CYP3A4 (0.49) CYP3A4ALDH1A1KDM4EHSD17B10CA2
SCHEMBL27767401 0.79 ALDH1A1 (0.55) CYP3A4ALDH1A1KDM4EHSD17B10IDH1
SCHEMBL3790510 0.78 ALDH1A1 (0.64) CYP3A4ALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL8078817 0.76 CYP3A4 (0.50) CYP3A4ALDH1A1CA2TSHRGAA
SCHEMBL990642 0.76 ALDH1A1 (0.61) CYP3A4ALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL31160231 0.76 ALDH1A1 (0.61) CYP3A4ALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL3293016 0.75 ALDH1A1 (0.52) CYP3A4ALDH1A1KDM4EHSD17B10CA2
SCHEMBL5936414 0.75 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4EHSD17B10CA2
SCHEMBL4655268 0.75 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4EHSD17B10CA2

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
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 CYP3A4 222/4885ALDH1A1 1268/4885CYP4F2 546/4885

“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.