SCHEMBL20126311

SCHEMBL20126311

C/C=C/ON1C(C)(C)CC(c2ccc(-c3ccc(OCCCC)cc3)cc2)CC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CRBN Q96SW2 1/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
RAB9A P51151 1/20 0.38
CYP2C9 P11712 4/20 0.37
CYP19A1 P11511 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
S1PR3 Q99500 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RARB P10826 2/20 0.35

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
SCHEMBL20126191 0.93 RAB9A (0.43) NPC1LMNACRBNCYP3A4RAB9A
SCHEMBL20126233 0.85 RAB9A (0.41) NPC1LMNACRBNCYP3A4RAB9A
SCHEMBL20126188 0.84 NPC1 (0.42) NPC1LMNACRBNCYP3A4CYP2D6
SCHEMBL20126310 0.84 NPC1 (0.42) NPC1LMNACRBNCYP3A4CYP2D6
SCHEMBL20126120 0.84 RAB9A (0.37) NPC1LMNACRBNCYP3A4RAB9A
SCHEMBL20126211 0.80 ALDH1A1 (0.43) NPC1LMNACRBNCYP3A4CYP2D6
SCHEMBL20126119 0.80 NPC1 (0.39) NPC1LMNACRBNCYP3A4CYP2D6
SCHEMBL20126147 0.79 CYP3A4 (0.38) NPC1LMNACRBNCYP3A4CYP2D6
SCHEMBL20126332 0.77 ALDH1A1 (0.45) NPC1LMNACYP3A4CYP2D6RAB9A
SCHEMBL20126144 0.76 CRBN (0.34) NPC1LMNACRBNCYP3A4CYP2D6

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 NPC1 4011/4885LMNA 1907/4885CRBN 4314/4885

“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.