SCHEMBL3765796

SCHEMBL3765796

Fc1ccc(C=C(CCl)c2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.52
PTGS2 P35354 2/20 0.52
NFE2L2 Q16236 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PARP1 P09874 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2925552 1.00 PTGS1 (0.52) PTGS1PTGS2NFE2L2CES2CES1
SCHEMBL2920260 0.91 PTGS1 (0.50) PTGS1PTGS2CES2CES1PARP1
SCHEMBL3767391 0.91 PTGS1 (0.50) PTGS1PTGS2CES2CES1PARP1
SCHEMBL3766762 0.83 PTGS1 (0.49) PTGS1PTGS2CES2CES1NPC1
SCHEMBL2918837 0.83 PTGS1 (0.49) PTGS1PTGS2CES2CES1NPC1
SCHEMBL3779270 0.81 ALDH1A1 (0.42) PTGS1PTGS2NFE2L2CES2CES1
SCHEMBL3659671 0.81 ALDH1A1 (0.42) PTGS1PTGS2NFE2L2CES2CES1
SCHEMBL2799258 0.79 MEN1 (0.37) PTGS1PTGS2CES2CES1KMT2A
SCHEMBL2799262 0.79 MEN1 (0.37) PTGS1PTGS2CES2CES1KMT2A
SCHEMBL2293797 0.77 NPC1 (0.50) PTGS1PTGS2CES2CES1PARP1

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-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 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-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH PTGS1 262/4885PTGS2 369/4885NFE2L2 921/4885

“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.