SCHEMBL20322608

SCHEMBL20322608

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)CO)cc(-c2ccc(C3CCC(CCCCC)CC3)cc2CC)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.32
▸ PPARA Q07869 2/20 0.32

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
SCHEMBL20322680 0.96 FFAR4 (0.32) —
SCHEMBL19854655 0.94 RAB9A (0.33) PPARGPPARA
SCHEMBL19855551 0.90 FFAR4 (0.34) —
SCHEMBL20322699 0.90 MMP2 (0.36) PPARGPPARA
SCHEMBL20322938 0.89 CYP2C9 (0.35) —
SCHEMBL20322673 0.89 RAB9A (0.33) PPARGPPARA
SCHEMBL20322738 0.89 RAB9A (0.33) PPARGPPARA
SCHEMBL20322612 0.89 — —
SCHEMBL20322929 0.89 ITGB3 (0.31) —
SCHEMBL20313563 0.88 CYP2C9 (0.38) PPARGPPARA

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-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 PPARG 2686/4885PPARA 2819/4885

“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.

Send feedback