SCHEMBL21074684

SCHEMBL21074684

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)c(CC)c3)CCC(c3ccc(CCC4CCC(CCCCC)CC4)cc3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ SPHK1 Q9NYA1 2/20 0.30

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
SCHEMBL21074607 0.95 SPHK1 (0.32) SPHK1
SCHEMBL21074623 0.91 THRB (0.38) PPARGTHRB
SCHEMBL21074602 0.88 CYP2C9 (0.34) —
SCHEMBL21074600 0.87 CYP2C9 (0.38) —
SCHEMBL21074603 0.86 CYP2C9 (0.37) —
SCHEMBL21074590 0.84 BCHE (0.32) PPARGPPARA
SCHEMBL21091631 0.84 THRB (0.34) THRB
SCHEMBL21074608 0.84 S1PR1 (0.32) —
SCHEMBL21074651 0.82 THRB (0.42) THRBSPHK1
SCHEMBL21074609 0.81 THRB (0.41) THRBSPHK1

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
EP-3495343-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2019-06-12 — — EP disclosed
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 PPARG 3498/4885PPARA 3295/4885THRB 4725/4885

“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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