SCHEMBL20313509

SCHEMBL20313509

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(CCCCC)c(C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ RARB P10826 4/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CSF3R Q99062 1/20 0.34

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
SCHEMBL19856082 0.99 CNR2 (0.38) CNR2CNR1RARBPLA2G2ATSHR
SCHEMBL20313565 0.93 PTPN11 (0.36) CNR2CNR1RARBPLA2G2ATSHR
SCHEMBL19856127 0.90 CSF3R (0.35) CNR2CSF3R
SCHEMBL20313501 0.88 RARB (0.43) CNR2CNR1RARBTSHR
SCHEMBL19856091 0.87 RXRA (0.34) CSF3R
SCHEMBL19856103 0.86 S1PR1 (0.38) CNR2CNR1RARBPLA2G2ATSHR
SCHEMBL20313574 0.86 CSF3R (0.34) CSF3R
SCHEMBL20313569 0.85 RARB (0.35) CNR2CNR1RARBTSHRMEN1
SCHEMBL20313490 0.85 MEN1 (0.45) CNR2CNR1RARBMEN1ALDH1A1
SCHEMBL19855465 0.84 CNR2 (0.43) CNR2CNR1TSHRMEN1ALDH1A1

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 CNR2 668/4885CNR1 229/4885RARB 3791/4885

“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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