SCHEMBL12604047

SCHEMBL12604047

C=CC(=O)OCCCCCCOc1cc(OCCCCCCOC(=O)C=C)cc(C(=O)Cc2ccc(CC(=O)c3cc(OCCCCCCOC(=O)C=C)cc(OCCCCCCOC(=O)C=C)c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ THRB P10828 3/20 0.47
▸ HTT P42858 3/20 0.41
▸ PLA2G2A P14555 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PLA2G4B P0C869 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GAA P10253 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
SCHEMBL25699829 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL21376945 0.83 RAB9A (0.47) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL29343551 0.80 THRB (0.46) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL816235 0.80 TSHR (0.51) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL25138384 0.80 HTT (0.44) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL25138398 0.80 HTT (0.44) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL25138400 0.80 HTT (0.44) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL12963398 0.79 TSHR (0.48) TSHRTHRBHPGDTP53PLA2G4B
SCHEMBL17791310 0.77 THRB (0.62) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL5043163 0.77 TSHR (0.59) TSHRALDH1A1CYP3A4THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 — — EP disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 — — US disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 — — US disclosed
EP-2325168-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2011-05-25 — — EP disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 — — US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 — — 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 TSHR 3993/4885ALDH1A1 3300/4885CYP3A4 124/4885

“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