SCHEMBL20126102

SCHEMBL20126102

CCCc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
SPHK1 Q9NYA1 3/20 0.37
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
P2RY14 Q15391 1/20 0.34
GAA P10253 2/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 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
SCHEMBL16749144 0.92 ALDH1A1 (0.38) SPHK1NPSR1ALDH1A1MAPTGFER
SCHEMBL16749147 0.87 ALDH1A1 (0.41) SPHK1NPSR1ALDH1A1MAPTGFER
SCHEMBL16749047 0.85 KDM1A (0.39) NPSR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL20126288 0.83 SPHK1 (0.52) SPHK1ALDH1A1LPLLIPGKDM4E
SCHEMBL20126355 0.82 ALDH1A1 (0.33) NPSR1ALDH1A1GAAKDM4ELMNA
SCHEMBL18215479 0.81 SPHK1 (0.39) NISCHSPHK1LPLLIPGMCL1
SCHEMBL20126348 0.80 HRH3 (0.36) NISCHSPHK1LPLLIPGP2RY14
SCHEMBL16749146 0.79 ALDH1A1 (0.36) SPHK1NPSR1ALDH1A1MAPTGAA
SCHEMBL20126357 0.79 RARB (0.37) NISCHNPSR1ALDH1A1MAPTNPC1
SCHEMBL16749046 0.79 KDM1A (0.42) NPSR1ALDH1A1MAPTGFERGAA

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 NISCH 1552/4885SPHK1 1054/4885NPSR1 1209/4885

“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.