SCHEMBL20128532

SCHEMBL20128532

CCOC1COC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CC2)OC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
MCHR1 Q99705 1/20 0.30
ESR2 Q92731 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
SCHEMBL20128398 0.87 GPR119 (0.35) GAAHTTMCHR1ESR2
SCHEMBL20128918 0.75 ESR2 (0.36) GAAHTTMCHR1ESR2
SCHEMBL20129351 0.74 MAPT (0.40) GAA
SCHEMBL20126108 0.72
SCHEMBL20126323 0.71 DRD2 (0.35) MCHR1ESR2
SCHEMBL20128519 0.71 MAPT (0.38) GAA
SCHEMBL20128878 0.70 CYP2C9 (0.54) ESR2
SCHEMBL20126199 0.69 TLR9 (0.33) GAAMCHR1ESR2
SCHEMBL14062840 0.69 ALDH1A1 (0.33)
SCHEMBL18030623 0.68 FASN (0.33)

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 GAA 4752/4885HTT 2146/4885MCHR1 1562/4885

“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.