SCHEMBL816263

SCHEMBL816263

C=CC(=O)OCCC(=O)OCCCCCCOC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.63
ALDH1A1 P00352 5/20 0.63
CYP3A4 P08684 1/20 0.63
HPGD P15428 1/20 0.53
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9417606 0.91 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4758825 0.90 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8850330 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10071416 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2612010 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8851036 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8851479 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2623193 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21641757 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8850378 0.89 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 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-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A TSHR 1707/4885ALDH1A1 807/4885CYP3A4 920/4885

“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.