SCHEMBL20322699

SCHEMBL20322699

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)CO)cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.36
▸ MMP3 P08254 6/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ PPARG P37231 2/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL19854199 0.94 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20322738 0.93 RAB9A (0.33) PPARGPPARA
SCHEMBL20322673 0.93 RAB9A (0.33) PPARGPPARA
SCHEMBL19854410 0.91 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20322680 0.90 FFAR4 (0.32) —
SCHEMBL20322608 0.90 PPARG (0.32) PPARGPPARA
SCHEMBL20407414 0.88 MMP2 (0.42) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19854416 0.87 RAB9A (0.37) —
SCHEMBL20322718 0.86 ITGB3 (0.34) —
SCHEMBL20322611 0.86 PPARG (0.33) 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 MMP2 2664/4885MMP3 1677/4885MMP1 2007/4885

“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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