SCHEMBL20126358

SCHEMBL20126358

CCCc1ccc(-c2cc(F)c(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30
LPL P06858 1/20 0.30

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
SCHEMBL20126369 0.86 CHKA (0.36) CHKACNR1CNR2RARB
SCHEMBL20126356 0.86 PKM (0.30) PKM
SCHEMBL20126351 0.86 RARB (0.36) CHKAHRH3RARBRARARARG
SCHEMBL18214107 0.84 RARB (0.37) CHKACNR1CNR2HRH3RARB
SCHEMBL18214093 0.82 CNR1 (0.35) CNR1CNR2RARBRARARARG
SCHEMBL20126348 0.81 HRH3 (0.36) HRH3MCL1NISCHLPLLIPG
SCHEMBL20126359 0.79 RARB (0.43) CNR2HRH3RARBRARARARG
SCHEMBL20128418 0.74 ACE2 (0.31) CNR1CNR2
SCHEMBL18214109 0.72 CNR1 (0.33) CHKACNR1CNR2HRH3RARB
SCHEMBL18214090 0.71 CNR1 (0.33) CNR1CNR2

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 CHKA 4350/4885CNR1 444/4885CNR2 502/4885

“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.