SCHEMBL4116232

SCHEMBL4116232

COc1c(Cl)cc(OCC=C(Cl)Cl)cc1C(=NO)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
GALK1 P51570 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4116229 1.00 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4PKMCYP2C19
SCHEMBL4127220 0.84 HTT (0.36) ALDH1A1CYP1A2CYP3A4PKMCYP2C19
SCHEMBL4127222 0.84 HTT (0.36) ALDH1A1CYP1A2CYP3A4PKMCYP2C19
SCHEMBL4125338 0.83 HTT (0.39) ALDH1A1CYP1A2CYP2C19HTTGALK1
SCHEMBL13614127 0.80 HTT (0.42) ALDH1A1CYP1A2CYP3A4PKMCYP2C19
SCHEMBL13696939 0.79 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4PKMCYP2C19
SCHEMBL4621204 0.79 HTT (0.44) ALDH1A1CYP3A4HTTGALK1
SCHEMBL4505005 0.79 HTT (0.41) ALDH1A1HTTGALK1HSD17B10
SCHEMBL4518577 0.78 HTT (0.40) ALDH1A1HTTGALK1
SCHEMBL4512881 0.78 GALK1 (0.52) ALDH1A1CYP1A2CYP2C19HTTGALK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US 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-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 ALDH1A1 319/4885CYP1A2 3/4885CYP3A4 84/4885

“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.