SCHEMBL13202036

SCHEMBL13202036

C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.39
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 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
SCHEMBL12132517 0.91 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13143986 0.85 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13714880 0.83 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14048320 0.82 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2720554 0.82 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17522074 0.82 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18751342 0.81 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17126853 0.81 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13144037 0.80 NPC1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13144002 0.80 ALDH1A1 (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314264-B2 Photopolymerizable functional radical-containing organosilicon compound and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-20 US disclosed
US-20100210862-A1 Photopolymerizable functional radical-containing organosilicon compound and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-19 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-20100210862-A1 Photopolymerizable functional radical-containing organosilicon compound and making method DUOX2, UROD, AOC1 ALDH1A1 1943/4885TP53 1391/4885HIF1A 1908/4885

“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.