SCHEMBL20322611

SCHEMBL20322611

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)CO)cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)c1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ SOAT1 P35610 1/20 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
SCHEMBL20313555 0.94 RAB9A (0.34) PPARGPPARARAB9ADGAT1SOAT1
SCHEMBL20322669 0.92 PPARG (0.32) PPARGPPARARAB9A
SCHEMBL20322673 0.89 RAB9A (0.33) PPARGPPARARAB9ADGAT1
SCHEMBL20322738 0.89 RAB9A (0.33) PPARGPPARARAB9ADGAT1
SCHEMBL19855958 0.88 RAB9A (0.31) RAB9A
SCHEMBL20322680 0.86 FFAR4 (0.32) RAB9A
SCHEMBL20322699 0.86 MMP2 (0.36) PPARGPPARA
SCHEMBL20313554 0.86 CYP2C9 (0.34) RAB9ADGAT1SOAT1
SCHEMBL20313525 0.86 CNR1 (0.32) PPARA
SCHEMBL19855957 0.85 RAB9A (0.34) PPARGPPARARAB9A

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 2819/4885RAB9A 3952/4885

“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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