SCHEMBL815812

SCHEMBL815812

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)CCc4ccc(OCCCCCCOC(=O)C=C)c(OCCCCCCOC(=O)C=C)c4)c(C)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
AKR1C3 P42330 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRA P10827 1/20 0.34
FFAR1 O14842 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 3/20 0.33
PPARA Q07869 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
SCHEMBL12893451 0.93 MAPT (0.38) MAPTTDP1THRAFFAR1HTT
SCHEMBL9906491 0.89 THRA (0.39) MAPTTDP1THRAHTTTHRB
SCHEMBL9906494 0.89 THRA (0.39) MAPTTDP1THRAHTTTHRB
SCHEMBL12733887 0.89 THRA (0.39) MAPTTDP1THRAHTTTHRB
SCHEMBL816206 0.88 THRB (0.40) MAPTAKR1C3HTTCA12CA1
SCHEMBL823050 0.88 MAPT (0.35) MAPTAKR1C3TDP1THRAHTT
SCHEMBL9906498 0.88 THRA (0.39) MAPTTDP1THRAHTTTHRB
SCHEMBL9906496 0.88 THRB (0.38) MAPTTHRAHTTTHRBPPARA
SCHEMBL12592131 0.86 KMT2A (0.37) THRAFFAR1HTTTHRB
SCHEMBL15398108 0.86 THRB (0.42) MAPTTDP1THRBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 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 MAPT 2630/4885AKR1C3 1940/4885TDP1 3592/4885

“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.