SCHEMBL20132863

SCHEMBL20132863

CCC(Cc1ccc(OC(F)(F)F)c(F)c1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.49
PPARD Q03181 11/20 0.49
EPHX2 P34913 3/20 0.49
PPARG P37231 11/20 0.48
PDE2A O00408 1/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43

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
SCHEMBL18174259 0.85 EPHX2 (0.51) PPARAPPARDEPHX2PDE2A
SCHEMBL18181376 0.77 PDE2A (0.43) EPHX2PDE2A
SCHEMBL18174185 0.76 EPHX2 (0.50) PPARAPPARDEPHX2PPARGPDE2A
SCHEMBL18174275 0.76 EPHX2 (0.50) PPARAPPARDEPHX2PPARGPDE2A
SCHEMBL20128512 0.76 EPHX2 (0.50) EPHX2PDE2A
SCHEMBL6611829 0.75 PDE2A (0.47) EPHX2PDE2A
SCHEMBL20061666 0.75 PDE2A (0.42) EPHX2PDE2A
SCHEMBL16798243 0.74 LDHA (0.47) PPARAPPARDPPARG
SCHEMBL16798244 0.74 LDHA (0.50) PPARAPPARDPPARG
SCHEMBL20132775 0.74 GRB2 (0.54) EPHX2PPARGPDE2A

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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 PPARA 1521/4885PPARD 1499/4885EPHX2 3907/4885

“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.