SCHEMBL22459838

SCHEMBL22459838

C=CC(=O)OCCCc1ccc(-c2ccc(CCCOC(=O)C(=C)COC)cc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.43
▸ AKR1B10 O60218 4/20 0.41
▸ AKR1B1 P15121 4/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.37
▸ THRB P10828 1/20 0.34
▸ APP P05067 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
SCHEMBL22459808 0.93 TNKS2 (0.42) METAKR1B10AKR1B1ALOX5TNKS2
SCHEMBL22459694 0.92 MET (0.38) METAKR1B10AKR1B1ALOX5THRB
SCHEMBL22459240 0.89 TNKS2 (0.41) METAKR1B10AKR1B1ALOX5TNKS2
SCHEMBL22459339 0.88 THRB (0.41) METAKR1B10AKR1B1ALOX5THRB
SCHEMBL22459260 0.85 RARB (0.39) METAKR1B10AKR1B1ALOX5THRB
SCHEMBL22459568 0.84 PPARG (0.39) METAKR1B10AKR1B1TNKS2
SCHEMBL22459823 0.83 THRB (0.44) THRB
SCHEMBL22459833 0.83 RARB (0.37) METTNKS2
SCHEMBL22459349 0.82 THRB (0.47) METAKR1B10AKR1B1THRB
SCHEMBL22459377 0.81 RARB (0.43) METAKR1B10AKR1B1

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-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-09-24 — — 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-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, CCND1, CPNE4 MET 3102/4885AKR1B10 3247/4885AKR1B1 2964/4885

“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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