SCHEMBL9906501

SCHEMBL9906501

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCCCCCCOC(=O)C=C)ccc5c4)c(C(C)(C)C)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
THRA P10827 2/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HGFAC Q04756 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
SCHEMBL816059 0.94 HTT (0.45) NR1H4RARARARBRARGTHRA
SCHEMBL19978519 0.91 NR1H4 (0.44) NR1H4TSHRHTTALDH1A1CYP3A4
SCHEMBL816380 0.90 ALDH1A1 (0.36) THRATSHRHTTALDH1A1CYP3A4
SCHEMBL9906558 0.89 NR1H4 (0.40) NR1H4RARARARBRARGTHRB
SCHEMBL6266001 0.89 NR1H4 (0.40) NR1H4THRATSHRHTTALDH1A1
SCHEMBL29343547 0.88 NPC1 (0.49) THRATSHRALDH1A1CYP3A4THRB
SCHEMBL9906491 0.87 THRA (0.39) THRATSHRHTTALDH1A1CYP3A4
SCHEMBL9906494 0.87 THRA (0.39) THRATSHRHTTALDH1A1CYP3A4
SCHEMBL12733887 0.87 THRA (0.39) THRATSHRHTTALDH1A1CYP3A4
SCHEMBL13041586 0.87 ALDH1A1 (0.40) THRATSHRHTTALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197710-B2 Polymerizable compound and polymerizable composition ADEKA CORPORATION (JP) 2012-06-12 US disclosed
US-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-11-25 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-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION PYM1, SCO2, ZYX NR1H4 1462/4885RARA 1178/4885RARB 1188/4885

“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.