SCHEMBL20126253

SCHEMBL20126253

CCCCCCCON1C(C)(C)CC(c2ccc(OCc3ccc(CCC)cc3)cc2)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SLC2A1 P11166 1/20 0.38
S1PR3 Q99500 4/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
S1PR1 P21453 4/20 0.36
S1PR5 Q9H228 3/20 0.36
NR5A1 Q13285 1/20 0.36

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
SCHEMBL20126173 0.90 HRH3 (0.37) HRH3NPC1RAB9ASLC2A1S1PR3
SCHEMBL20126340 0.88 SPHK1 (0.40) HRH3SPHK1
SCHEMBL20126274 0.83 SPHK1 (0.34) NPC1RAB9AS1PR3TP53MEN1
SCHEMBL20126277 0.81 HRH3 (0.47) HRH3MEN1KMT2ALMNASPHK1
SCHEMBL20126286 0.80 HRH3 (0.47) HRH3TP53KMT2ASPHK1
SCHEMBL20126218 0.80 SPHK1 (0.36) HRH3NPC1RAB9AS1PR3TP53
SCHEMBL20126315 0.78 SPHK1 (0.36) HRH3SPHK1
SCHEMBL20126259 0.77 HRH3 (0.40) HRH3NPC1RAB9ATP53MEN1
SCHEMBL20126246 0.77 HRH3 (0.37) HRH3MEN1KMT2ALMNASPHK1
SCHEMBL20126251 0.75 ALDH1A1 (0.39) HRH3NPC1RAB9ATP53MEN1

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 85/4885NPC1 4011/4885RAB9A 2023/4885

“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.