SCHEMBL20126340

SCHEMBL20126340

CCCCCCCON1C(C)(C)CC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RARB P10826 3/20 0.34

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
SCHEMBL20126218 0.92 SPHK1 (0.36) SPHK1SPHK2HRH3
SCHEMBL20126315 0.89 SPHK1 (0.36) SPHK1SPHK2HRH3TSHRHSD17B10
SCHEMBL20126253 0.88 HRH3 (0.42) SPHK1HRH3
SCHEMBL20126173 0.84 HRH3 (0.37) HRH3RARB
SCHEMBL20126274 0.83 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL20126349 0.82 SPHK1 (0.34) SPHK1HRH3
SCHEMBL20126246 0.79 HRH3 (0.37) SPHK1SPHK2HRH3
SCHEMBL20126339 0.79 SPHK1 (0.43) SPHK1SPHK2HRH3TSHRHSD17B10
SCHEMBL20126210 0.79 CYP2C9 (0.36) SPHK1HRH3
SCHEMBL20126348 0.78 HRH3 (0.36) SPHK1SPHK2HRH3

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 SPHK1 1054/4885SPHK2 814/4885HRH3 85/4885

“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.