SCHEMBL4196309

SCHEMBL4196309

C=CC(=O)OCCN1CCN(CCOC(=O)C=C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 6/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11837071 0.94 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4191407 0.90 THRB (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9469787 0.89 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4188616 0.84 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL167047 0.80 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL437536 0.80 POLB (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16845611 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL354341 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11422102 0.79 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4193243 0.78 CYP3A4 (0.34) TSHRALDH1A1CYP3A4HSD17B10KDM4E

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 5 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
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 TSHR 3759/4885ALDH1A1 4350/4885TP53 1113/4885

“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.