SCHEMBL20128694

SCHEMBL20128694

CCCCC1CCC(C(O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2F)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20126282 0.83 MAPT (0.35) TP53POLBMAPT
SCHEMBL20126371 0.81 MEN1 (0.34) MAPT
SCHEMBL23618040 0.71 ACHE (0.35) MAPT
SCHEMBL20126285 0.70 HPGD (0.33)
SCHEMBL9631946 0.69 HPGD (0.32) MAPT
SCHEMBL9630240 0.69 GAA (0.36) MAPT
SCHEMBL3437334 0.69 GAA (0.36) MAPT
SCHEMBL9630480 0.68 SCN9A (0.34) MAPT
SCHEMBL19985175 0.68 ACHE (0.34) MAPT
SCHEMBL20126342 0.68 OPRL1 (0.40)

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 TP53 2615/4885POLB 1146/4885MAPT 3166/4885

“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.