SCHEMBL19755100

SCHEMBL19755100

C=C(CN(CC)CC)C(=O)OC1CCC(c2ccc(CCCCC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.48
▸ SPHK2 Q9NRA0 7/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.41
▸ THRB P10828 2/20 0.38
▸ THRA P10827 1/20 0.38
▸ S1PR3 Q99500 1/20 0.36

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
SCHEMBL19722613 0.89 FFAR4 (0.38) SPHK1SPHK2FFAR4
SCHEMBL19721964 0.87 SPHK1 (0.51) SPHK1SPHK2FFAR4THRBTHRA
SCHEMBL19721892 0.84 SPHK1 (0.48) SPHK1SPHK2FFAR4THRBTHRA
SCHEMBL19722091 0.83 SPHK1 (0.44) SPHK1SPHK2THRBTHRA
SCHEMBL19722485 0.78 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL19722583 0.76 RARB (0.47) SPHK1SPHK2FFAR4S1PR3
SCHEMBL19722283 0.76 RARB (0.47) SPHK1SPHK2FFAR4
SCHEMBL19722084 0.76 NAAA (0.39) —
SCHEMBL17995473 0.76 SPHK1 (0.41) SPHK1SPHK2FFAR4THRB
SCHEMBL19854030 0.76 SPHK1 (0.43) SPHK1FFAR4THRBTHRAS1PR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 — — 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-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 SPHK1 646/4885SPHK2 790/4885FFAR4 2555/4885

“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.

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