SCHEMBL20126274

SCHEMBL20126274

CCCCCCCON1C(C)(C)CC(c2ccc(OC(F)(F)c3ccc(CCC)cc3)cc2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
S1PR3 Q99500 1/20 0.32
SPHK2 Q9NRA0 7/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL20126340 0.83 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL20126253 0.83 HRH3 (0.42) SPHK1S1PR3NPC1RAB9AMEN1
SCHEMBL20126218 0.76 SPHK1 (0.36) SPHK1S1PR3SPHK2NPC1RAB9A
SCHEMBL20126246 0.75 HRH3 (0.37) SPHK1SPHK2MEN1KMT2A
SCHEMBL7730942 0.75 FAAH (0.47) S1PR3SPHK2MEN1TP53KMT2A
SCHEMBL7734594 0.75 FAAH (0.47) S1PR3SPHK2MEN1TP53KMT2A
SCHEMBL7723101 0.75 FAAH (0.47) S1PR3SPHK2MEN1TP53KMT2A
SCHEMBL7731581 0.75 FAAH (0.47) S1PR3SPHK2MEN1TP53KMT2A
SCHEMBL7733153 0.75 FAAH (0.47) S1PR3SPHK2MEN1TP53KMT2A
SCHEMBL20126315 0.74 SPHK1 (0.36) SPHK1SPHK2

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 1054/4885S1PR3 951/4885SPHK2 814/4885

“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.