SCHEMBL20128526

SCHEMBL20128526

CCCC1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.41
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 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
SCHEMBL20128878 0.86 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20128502 0.85 ACACB (0.43) ACACBPARP15PARP10PARP2
SCHEMBL20126267 0.84 S1PR3 (0.37) ACACBCYP2C9
SCHEMBL20128691 0.82 KDM1A (0.36) ACACBCYP2C9ALDH1A1LMNAMAPT
SCHEMBL9618337 0.81 CYP2C9 (0.54) ACACBCYP2C9ALDH1A1LMNAMAPT
SCHEMBL9618338 0.81 CYP2C9 (0.54) ACACBCYP2C9ALDH1A1LMNAMAPT
SCHEMBL20129351 0.79 MAPT (0.40) ACACBCYP2C9ALDH1A1MAPTMEN1
SCHEMBL20126244 0.78 DRD2 (0.39) ACACB
SCHEMBL9775621 0.78 CYP2C9 (0.50) ACACBCYP2C9ALDH1A1LMNAMAPT
SCHEMBL20129423 0.77 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1

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 3969/4885CYP2C9 348/4885ALDH1A1 47/4885

“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.