SCHEMBL20031435

SCHEMBL20031435

FC(F)(F)c1cc(Oc2ccc(Cl)cc2)ccc1C1(Cn2cncc2Cl)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
FAAH O00519 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
PLA2G7 Q13093 3/20 0.31
EGLN1 Q9GZT9 1/20 0.31
RAF1 P04049 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL21632243 0.87 CYP3A4 (0.39) FAAHALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL21632373 0.84 CYP17A1 (0.31) FNTAFNTBPGGT1B
SCHEMBL20000648 0.79 AR (0.46) ARFAAHPIK3CAKDM4EALDH1A1
SCHEMBL21632262 0.77 CYP3A4 (0.38) FAAHALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL20000652 0.76 AR (0.36) ARPIK3CASLC6A4HTR2AKCNH2
SCHEMBL20000651 0.75 CYP3A4 (0.47) KDM4ESLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL20031127 0.75 FNTA (0.33) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL20031571 0.74 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL20031605 0.73 FNTA (0.32) SLC6A4HTR2AKCNH2FNTAFNTB
SCHEMBL1279615 0.73 CYP3A4 (0.47) KDM4ESLC6A4SLC6A2SLC6A3HTR2A

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-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
WO-2018060088-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 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-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C AR 4671/4885FAAH 3973/4885PIK3CA 1062/4885

“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.