SCHEMBL20126141

SCHEMBL20126141

CCOc1ccc(C2CCC(C3COC(C4CC(C)(C)N(CC)C(C)(C)C4)OC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.34
CYP2C9 P11712 5/20 0.34
KCNH2 Q12809 4/20 0.34
CYP3A4 P08684 4/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.33
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL20126230 0.89 CACNA2D1 (0.37) HRH3CYP2C9KCNH2CYP3A4MAPT
SCHEMBL20126186 0.82 NQO1 (0.40) HRH3CYP2C9KCNH2CYP3A4MAPT
SCHEMBL20126118 0.78 MAPT (0.35) HRH3KCNH2MAPTALDH1A1KDM4E
SCHEMBL20126308 0.75 NQO1 (0.40) MAPTALDH1A1KDM4EGAAMAPK1
SCHEMBL13023407 0.71 ALOX5 (0.39) HRH3CYP2C9KCNH2CYP3A4MAPT
SCHEMBL9586183 0.71 NQO1 (0.61) HRH3CYP2C9KCNH2CYP3A4MAPT
SCHEMBL20118136 0.70 ESR2 (0.49) HRH3MAPTALDH1A1DRD2CACNA2D1
SCHEMBL19053611 0.70 NQO1 (0.47) HRH3CYP2C9KCNH2CYP3A4MAPT
SCHEMBL13579427 0.70 NQO1 (0.35) HRH3CYP2C9KCNH2CYP3A4MAPT
SCHEMBL20129351 0.70 MAPT (0.40) HRH3CYP2C9KCNH2CYP3A4MAPT

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 2 patents. 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
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 HRH3 85/4885CYP2C9 348/4885KCNH2 1274/4885

“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.