SCHEMBL4200631

SCHEMBL4200631

C=C(C)C(=O)OC(COc1ccccc1C(C)(C)c1ccccc1OCC(OCC)OC(=O)C(=C)C)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL27683333 0.80 MTNR1A (0.44) TDP1MAPTL3MBTL1LMNAMAPK1
SCHEMBL1468098 0.79 AR (0.46) TDP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8957757 0.77 CYP2C19 (0.42) KDM4EGAARXRARXRBRXRG
SCHEMBL29376964 0.77 CYP1A2 (0.48) TDP1ATMMAPTALDH1A1KDM4E
SCHEMBL1109621 0.77 CYP1A2 (0.48) TDP1ATMMAPTALDH1A1KDM4E
SCHEMBL27230002 0.76 ALDH1A1 (0.40) TDP1ATMMAPTALDH1A1KDM4E
SCHEMBL5223398 0.75 AR (0.43) TDP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8439639 0.74 MAPT (0.46) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL7189264 0.74 MEN1 (0.42) TDP1MAPTALDH1A1GAAL3MBTL1
SCHEMBL4649149 0.73 ATM (0.40) TDP1ATMALDH1A1KDM4EGAA

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
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
US-6797805-B2 Organic polymers and novel polymerizable compounds MITSUI CHEMICALS, INC. (JP) 2004-09-28 US disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed
US-20030166808-A1 Organic polymers and novel polymerizable compound MITSUI CHEMICALS, INC. (JP) 2003-09-04 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-20030166808-A1 Organic polymers and novel polymerizable compound PCNA, UTP18, ODC1 TDP1 588/4885ATM 1356/4885MAPT 35/4885

“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.