SCHEMBL823189

SCHEMBL823189

C=CC(=O)OCCOC(CCCCC)OCCOC(=O)C=C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
HPGD P15428 1/20 0.61
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 4/20 0.44
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 3/20 0.40
SMPD1 P17405 3/20 0.38
THRA P10827 1/20 0.38
DGKA P23743 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37

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
SCHEMBL10001567 0.86 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30977007 0.84 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30977043 0.84 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17784564 0.84 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30977033 0.84 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28133608 0.81 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14718405 0.81 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1973150 0.81 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9480309 0.79 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17851221 0.79 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A

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-20110280912-A1 DEGRADABLE POLYMER NANOSTRUCTURE MATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-17 US disclosed
WO-2011081659-A1 DEGRADABLE POLYMER NANOSTRUCTURE MATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-07 WO 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-20110280912-A1 DEGRADABLE POLYMER NANOSTRUCTURE MATERIALS BCAT1, PCBP1, TRIM4 TSHR 4873/4885HPGD 3909/4885ALDH1A1 1806/4885

“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.