SCHEMBL3467654

SCHEMBL3467654

Clc1ccc([C@H]2O[C@]2(Cn2cncn2)c2ccccc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
THRB P10828 2/20 0.48
CYP2C9 P11712 2/20 0.47
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
NR1I2 O75469 1/20 0.38
FYN P06241 1/20 0.38
PGR P06401 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL2557411 1.00 CYP3A4 (0.48) CYP3A4THRBCYP2C9KDM4EMAPT
Alteconazole SCHEMBL9748291 0.86 CYP3A4 (0.49) CYP3A4THRBCYP2C9KDM4EMAPT
Alteconazole SCHEMBL30416434 0.86 CYP3A4 (0.49) CYP3A4THRBCYP2C9KDM4EMAPT
Alteconazole SCHEMBL2110163 0.86 CYP3A4 (0.49) CYP3A4THRBCYP2C9KDM4EMAPT
SCHEMBL4402362 0.84 CYP3A4 (0.46) CYP3A4THRBCYP2C9KDM4EHTT
SCHEMBL13250541 0.81 CYP3A4 (0.38) CYP3A4THRBCYP2C9KDM4EHTT
SCHEMBL3466478 0.81 HTT (0.38) CYP3A4THRBCYP2C9MAPTHTT
SCHEMBL14693694 0.80 THRB (0.39) CYP3A4THRBCYP2C9MAPTHTT
SCHEMBL9004933 0.80 CYP3A4 (0.44) CYP3A4THRBCYP2C9KDM4EHTT
SCHEMBL10844736 0.80 CYP3A4 (0.46) CYP3A4THRBCYP2C9KDM4EHTT

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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 CYP3A4 174/4885THRB 3767/4885CYP2C9 128/4885

“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.