SCHEMBL12285182

SCHEMBL12285182

C=CC(=O)OCCOCCOCC(=O)OC(=O)C=C

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.70
ALDH1A1 P00352 4/20 0.70
TP53 P04637 3/20 0.70
HIF1A Q16665 3/20 0.70
HSD17B10 Q99714 1/20 0.70
THRB P10828 2/20 0.49
CYP3A4 P08684 2/20 0.48
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10481991 0.87 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL25514 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL56001 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL338118 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851185 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8636795 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4602612 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18134826 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12701599 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10314657 0.84 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10

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-8025901-B2 Bifunctional-modified hydrogels WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-27 US disclosed
US-20100209509-A1 BIFUNCTIONAL-MODIFIED HYDROGELS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-08-19 US disclosed
US-7615593-B2 Comprises interpenetrating polymer network/matrix (of collagen and/or gelatin) modified with endcapped polyalkylene glycol; drug delivery; for incorporation into bandages, surgical and dental wound packing material, diapers and catamenial devices WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-11-10 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-20100209509-A1 BIFUNCTIONAL-MODIFIED HYDROGELS PCNA, CDC25B, ALG1 TSHR 3688/4885ALDH1A1 281/4885TP53 3130/4885

“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.