SCHEMBL20128502

SCHEMBL20128502

COC1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.43
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
BACE1 P56817 3/20 0.38

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
SCHEMBL20128526 0.85 ACACB (0.41) ACACBPARP15PARP10PARP2
SCHEMBL20128918 0.83 ESR2 (0.36) BACE1
SCHEMBL20129351 0.79 MAPT (0.40) ACACB
SCHEMBL20126243 0.79 ACACB (0.37) ACACB
SCHEMBL20128590 0.77 HTT (0.42)
SCHEMBL30849 0.75 PARP15 (0.48) ACACBPARP15PARP10PARP2
SCHEMBL20126244 0.73 DRD2 (0.39) ACACB
SCHEMBL20128521 0.72 ALDH1A1 (0.43)
SCHEMBL20128519 0.71 MAPT (0.38) ACACB
SCHEMBL20126267 0.70 S1PR3 (0.37) ACACB

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 ACACB 3969/4885PARP15 2114/4885PARP10 1494/4885

“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.