SCHEMBL20128405

SCHEMBL20128405

CCCc1ccc(-c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.35
MCL1 Q07820 1/20 0.35
P2RY14 Q15391 1/20 0.35
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
RARB P10826 1/20 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
SCHEMBL20126348 0.87 HRH3 (0.36) SPHK1MCL1P2RY14LPLLIPG
SCHEMBL21236031 0.87 SPHK1 (0.46) SPHK1
SCHEMBL20128695 0.84 CHKA (0.40) CNR1CNR2RARB
SCHEMBL20126349 0.83 SPHK1 (0.34) SPHK1MCL1P2RY14LPLLIPG
SCHEMBL20129410 0.82
SCHEMBL20126338 0.81 SPHK1 (0.33) SPHK1MCL1P2RY14LPLLIPG
SCHEMBL20128404 0.80 MAPT (0.43) RARB
SCHEMBL20126102 0.79 NISCH (0.39) SPHK1MCL1P2RY14LPLLIPG
SCHEMBL18215479 0.78 SPHK1 (0.39) SPHK1MCL1LPLLIPGNISCH
SCHEMBL20126340 0.77 SPHK1 (0.40) SPHK1HRH3RARB

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 1 patent. 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

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 SPHK1 1054/4885MCL1 2714/4885P2RY14 786/4885

“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.