SCHEMBL20126348

SCHEMBL20126348

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
SPHK1 Q9NYA1 10/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
SPHK2 Q9NRA0 7/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
P2RY14 Q15391 1/20 0.34
MCL1 Q07820 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
SCHEMBL20128405 0.87 SPHK1 (0.35) HRH3SPHK1NISCHLPLLIPG
SCHEMBL5970189 0.85 TLR8 (0.41) TLR8TLR7
SCHEMBL20126349 0.84 SPHK1 (0.34) HRH3SPHK1NISCHLPLLIPG
SCHEMBL20126165 0.84 ACACB (0.40) HRH3
SCHEMBL18931596 0.82 HRH3 (0.33) HRH3TLR8TLR7
SCHEMBL20126338 0.82 SPHK1 (0.33) HRH3SPHK1NISCHLPLLIPG
SCHEMBL20126358 0.81 CHKA (0.36) HRH3NISCHLPLLIPGMCL1
SCHEMBL20126102 0.80 NISCH (0.39) SPHK1NISCHLPLLIPGP2RY14
SCHEMBL20126351 0.80 RARB (0.36) HRH3MCL1
SCHEMBL18215479 0.80 SPHK1 (0.39) HRH3SPHK1NISCHSPHK2LPL

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 1054/4885TLR8 1995/4885

“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.