SCHEMBL22459377

SCHEMBL22459377

C=C(COC)C(=O)OCCCc1ccc(-c2ccc(CCCOC(=O)C(=C)COC)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.43
▸ MMP2 P08253 6/20 0.37
▸ MMP3 P08254 4/20 0.37
▸ MMP9 P14780 4/20 0.37
▸ MMP14 P50281 4/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MMP1 P03956 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MET P08581 2/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL22459317 0.96 RARB (0.40) RARBMMP2MMP3MMP9MMP14
SCHEMBL22459597 0.92 PPARG (0.39) RARBMMP2MMP3MMP9MMP14
SCHEMBL22459380 0.90 PPARG (0.41) RARBPPARG
SCHEMBL22459808 0.87 TNKS2 (0.42) PPARGMETAKR1B10AKR1B1
SCHEMBL22459369 0.87 RARB (0.35) RARBMMP2MMP3PPARGMET
SCHEMBL22459336 0.87 PPARG (0.39) RARBPPARG
SCHEMBL22459342 0.87 POLB (0.41) RARBPPARG
SCHEMBL22459252 0.86 LMNA (0.40) RARBMETAKR1B10AKR1B1CTDSP1
SCHEMBL22459412 0.86 LMNA (0.40) RARBMETAKR1B10AKR1B1CTDSP1
SCHEMBL22561079 0.85 LPAR1 (0.33) RARBPPARGMETAKR1B10AKR1B1

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 RARB 3668/4885MMP2 1874/4885MMP3 1969/4885

“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.

Send feedback