SCHEMBL20128512

SCHEMBL20128512

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
PDE2A O00408 4/20 0.44
CACNA1H O95180 2/20 0.44
P2RX7 Q99572 3/20 0.40
LDHA P00338 1/20 0.39

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
SCHEMBL18174275 0.89 EPHX2 (0.50) EPHX2PDE2ACACNA1HLDHA
SCHEMBL18174185 0.89 EPHX2 (0.50) EPHX2PDE2ACACNA1HLDHA
SCHEMBL18174259 0.86 EPHX2 (0.51) EPHX2PDE2ACACNA1HP2RX7
SCHEMBL6611829 0.82 PDE2A (0.47) EPHX2PDE2ACACNA1HP2RX7
SCHEMBL20132775 0.81 GRB2 (0.54) EPHX2PDE2ALDHA
SCHEMBL20061669 0.80 PDE2A (0.44) EPHX2PDE2ACACNA1H
SCHEMBL6600311 0.79 TP53 (0.45) EPHX2PDE2ACACNA1HP2RX7
SCHEMBL18181376 0.78 PDE2A (0.43) EPHX2PDE2ACACNA1H
SCHEMBL15881521 0.77 CTSD (0.44) EPHX2PDE2ALDHA
SCHEMBL20132863 0.76 PPARA (0.49) EPHX2PDE2A

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 EPHX2 3907/4885PDE2A 4039/4885CACNA1H 2018/4885

“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.