SCHEMBL9906491

SCHEMBL9906491

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 3/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HGFAC Q04756 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL9906494 1.00 THRA (0.39) THRATSHRALDH1A1CYP3A4HTT
SCHEMBL12733887 1.00 THRA (0.39) THRATSHRALDH1A1CYP3A4HTT
SCHEMBL9906498 0.99 THRA (0.39) THRATSHRALDH1A1CYP3A4HTT
SCHEMBL9906496 0.99 THRB (0.38) THRATSHRALDH1A1CYP3A4HTT
SCHEMBL816363 0.97 PPARG (0.39) TSHRTHRBMAPTHPGDTDP1
SCHEMBL15398108 0.95 THRB (0.42) TSHRTHRBMAPTHPGDTDP1
SCHEMBL9906518 0.94 HDAC6 (0.41) TSHRALDH1A1CYP3A4THRBMAPT
SCHEMBL9906497 0.94 THRB (0.44) THRBMAPTTDP1HGFACPPARG
SCHEMBL9906500 0.94 HTT (0.47) THRATSHRALDH1A1CYP3A4HTT
SCHEMBL816364 0.94 HTT (0.47) THRATSHRALDH1A1CYP3A4HTT

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 THRA 1207/4885TSHR 2121/4885ALDH1A1 1495/4885

“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.