SCHEMBL21074598

SCHEMBL21074598

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)cc3)CCC(C3CCC(c4ccc(CCCCC)cc4)CC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.41
▸ THRB P10828 2/20 0.41
▸ THRA P10827 1/20 0.38
▸ SPHK2 Q9NRA0 7/20 0.37
▸ FFAR4 Q5NUL3 2/20 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
SCHEMBL21074651 0.92 THRB (0.42) SPHK1THRBTHRASPHK2FFAR4
SCHEMBL21074609 0.89 THRB (0.41) SPHK1THRBTHRA
SCHEMBL21074607 0.85 SPHK1 (0.32) SPHK1
SCHEMBL21074601 0.85 FFAR4 (0.38) SPHK1THRBTHRAFFAR4
SCHEMBL21074600 0.84 CYP2C9 (0.38) —
SCHEMBL21074603 0.83 CYP2C9 (0.37) —
SCHEMBL21074619 0.83 LSS (0.33) THRB
SCHEMBL21074610 0.83 THRB (0.42) THRBTHRA
SCHEMBL21074599 0.82 CNR2 (0.33) THRB
SCHEMBL19722278 0.80 CYP2C9 (0.42) SPHK1THRB

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-20190169502-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2019-06-06 — — 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-20190169502-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PLD1, AP3D1, CCND1 SPHK1 362/4885THRB 4725/4885THRA 4737/4885

“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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