SCHEMBL20126257

SCHEMBL20126257

CCCOC1CCC(C(=O)Cc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.33
MMP1 P03956 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RORC P51449 1/20 0.31
MAOB P27338 1/20 0.30
GPR119 Q8TDV5 2/20 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
SCHEMBL20126322 0.83 MCHR1 (0.38) MCHR1GPR119
SCHEMBL20126200 0.73 MCHR1 (0.37) MCHR1
SCHEMBL20126325 0.70 GPR119 (0.34) MCHR1GPR119
SCHEMBL20126249 0.69 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHTTMAOB
SCHEMBL20126298 0.68 MCHR1 (0.34) MCHR1
SCHEMBL20126280 0.67 HTT (0.41) ALDH1A1HTT
Acetic Acid SCHEMBL988128 0.67 TSHR (0.35) ALDH1A1
SCHEMBL20126348 0.66 HRH3 (0.36)
SCHEMBL20126240 0.66 OPRL1 (0.34) GPR119
SCHEMBL20126332 0.66 ALDH1A1 (0.45) KDM4EALDH1A1MAPTMAOB

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 MCHR1 1562/4885MMP1 685/4885KDM4E 3031/4885

“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.