SCHEMBL20313697

SCHEMBL20313697

C=C(CO)C(=O)OCCOC1CC(OCCOC(=O)C(=C)CO)CC(C2CCC(c3ccc(CCCCC)cc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.43
▸ SPHK2 Q9NRA0 7/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.38
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RAB9A P51151 1/20 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
SCHEMBL20322740 0.93 SPHK1 (0.38) SPHK1SPHK2FFAR4
SCHEMBL19722561 0.87 SPHK1 (0.40) SPHK1SPHK2FFAR4RAB9A
SCHEMBL20407431 0.84 SPHK1 (0.46) SPHK1SPHK2FFAR4
SCHEMBL19721892 0.83 SPHK1 (0.48) SPHK1SPHK2FFAR4THRATHRB
SCHEMBL19722414 0.83 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL19755066 0.83 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL19722420 0.82 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL19755067 0.82 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL19855182 0.81 SPHK1 (0.41) SPHK1SPHK2FFAR4
SCHEMBL19722314 0.81 SPHK1 (0.47) SPHK1SPHK2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 SPHK1 212/4885SPHK2 290/4885FFAR4 1865/4885

“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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