SCHEMBL3775238

SCHEMBL3775238

COc1ccc(C(=Cc2ccccc2Cl)CCl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.45
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ATM Q13315 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MAOB P27338 2/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL3664254 1.00 ABCG2 (0.45) ABCG2MAPK1HTTLMNARAB9A
SCHEMBL3656662 0.84 TRPA1 (0.38) ABCG2HTTRAB9AMEN1KMT2A
SCHEMBL3770487 0.84 TRPA1 (0.38) ABCG2HTTRAB9AMEN1KMT2A
SCHEMBL3661458 0.80 TRPA1 (0.39) MAPK1HTTLMNARAB9AMEN1
SCHEMBL3776016 0.80 TRPA1 (0.39) MAPK1HTTLMNARAB9AMEN1
SCHEMBL3662315 0.78 ABCG2 (0.44) ABCG2LMNARAB9AMEN1KMT2A
SCHEMBL3662316 0.78 ABCG2 (0.44) ABCG2LMNARAB9AMEN1KMT2A
SCHEMBL5050582 0.77 MAPT (0.48) HTTLMNARAB9AMEN1KMT2A
SCHEMBL28557804 0.77 MAPT (0.48) HTTLMNARAB9AMEN1KMT2A
SCHEMBL29966795 0.77 MAPT (0.48) HTTLMNARAB9AMEN1KMT2A

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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 ABCG2 2920/4885MAPK1 3255/4885HTT 3139/4885

“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.