SCHEMBL20126341

SCHEMBL20126341

CCCC1CCC(c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 3/20 0.38
DRD2 P14416 3/20 0.37
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
HTT P42858 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL20126331 0.84 CYP2C9 (0.44) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL6023340 0.84 CYP2C9 (0.51) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL6023343 0.84 CYP2C9 (0.51) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL20128878 0.83 CYP2C9 (0.54) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL20126323 0.82 DRD2 (0.35) ESR2DRD2
SCHEMBL20126207 0.80 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL4803899 0.78 CYP2C9 (0.69) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL4803893 0.78 CYP2C9 (0.69) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL20126342 0.78 OPRL1 (0.40) CYP3A4
SCHEMBL20126105 0.77 CYP2C9 (0.52) CYP2C9ALDH1A1MAPTLMNAMEN1

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 CYP2C9 348/4885ALDH1A1 47/4885MAPT 3166/4885

“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.