SCHEMBL20313556

SCHEMBL20313556

C=C(CO)C(=O)OCOc1cc(OCOC(=O)C(=C)CO)cc(-c2ccc(C3CCC(CCC)CC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DGAT1 O75907 10/20 0.35
▸ SOAT1 P35610 3/20 0.35
▸ ESR2 Q92731 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGS2 P35354 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ KIT P10721 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
SCHEMBL20313619 0.93 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20313523 0.93 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19854222 0.92 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20313557 0.92 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20313625 0.91 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20313614 0.89 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20322685 0.88 DGAT1 (0.34) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19854685 0.87 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19854206 0.86 FFAR4 (0.34) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL20322936 0.85 ESR2 (0.33) CYP2C9DGAT1SOAT1ESR2

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 CYP2C9 3375/4885ALDH1A1 2615/4885LMNA 839/4885

“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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