SCHEMBL3659671

SCHEMBL3659671

Fc1ccc(/C=C(\CCl)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTGS2 P35354 3/20 0.38
PLA2G7 Q13093 1/20 0.37
PTGS1 P23219 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 1/20 0.35
NFE2L2 Q16236 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.34

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
SCHEMBL3779270 1.00 ALDH1A1 (0.42) ALDH1A1HTTCES2CES1PTGS2
SCHEMBL2799262 0.85 MEN1 (0.37) ALDH1A1HTTCES2CES1PTGS2
SCHEMBL2799258 0.85 MEN1 (0.37) ALDH1A1HTTCES2CES1PTGS2
SCHEMBL3765796 0.81 PTGS1 (0.52) CES2CES1PTGS2PTGS1MEN1
SCHEMBL2925552 0.81 PTGS1 (0.52) CES2CES1PTGS2PTGS1MEN1
SCHEMBL2799013 0.79 MAPT (0.41) ALDH1A1HTTCES2CES1PTGS2
SCHEMBL2799017 0.79 MAPT (0.41) ALDH1A1HTTCES2CES1PTGS2
SCHEMBL3661741 0.76 CES2 (0.38) CES2CES1PTGS2MEN1KMT2A
SCHEMBL3766720 0.76 CES2 (0.38) CES2CES1PTGS2MEN1KMT2A
SCHEMBL3777037 0.75 ALDH1A1 (0.43) ALDH1A1HTTPTGS2PTGS1BRAF

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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 ALDH1A1 20/4885HTT 3139/4885CES2 295/4885

“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.