SCHEMBL20126246

SCHEMBL20126246

CCCCON1C(C)(C)CC(c2ccc(CCC3CCC(CCC)CC3)cc2)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
SPHK1 Q9NYA1 9/20 0.36
CYP2C9 P11712 1/20 0.36
MAOB P27338 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK2 Q9NRA0 4/20 0.33

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 0.91 CYP2C9 (0.44) HRH3SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL20126267 0.85 S1PR3 (0.37) HRH3CYP2C9
SCHEMBL20126210 0.79 CYP2C9 (0.36) HRH3SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL20126340 0.79 SPHK1 (0.40) HRH3SPHK1SPHK2
SCHEMBL20126253 0.77 HRH3 (0.42) HRH3SPHK1LMNAMEN1KMT2A
SCHEMBL20126341 0.75 CYP2C9 (0.48) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL20126218 0.75 SPHK1 (0.36) HRH3SPHK1MEN1KMT2ASPHK2
SCHEMBL20126265 0.74 CYP2C9 (0.35) HRH3SPHK1CYP2C9MAOBALDH1A1
SCHEMBL10553204 0.74 CYP2C9 (0.58) SPHK1CYP2C9MAOBALDH1A1LMNA
SCHEMBL10553199 0.74 CYP2C9 (0.58) SPHK1CYP2C9MAOBALDH1A1LMNA

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 85/4885SPHK1 1054/4885CYP2C9 348/4885

“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.