SCHEMBL9945633

SCHEMBL9945633

CCOP(C)(=O)CCC(=O)OCOC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
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
SCHEMBL11025207 0.85 CYP1A2 (0.44) ALDH1A1LMNAPPARDTSHRSMN1; SMN2
SCHEMBL27939729 0.78 TSHR (0.46) ALDH1A1LMNAHSD17B10PPARDTSHR
SCHEMBL10409275 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10PPARDTSHR
SCHEMBL28231972 0.77 PPARD (0.40) ALDH1A1LMNAHSD17B10PPARDTSHR
SCHEMBL16490170 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10PPARDTSHR
SCHEMBL11021469 0.75 CYP1A2 (0.50) ALDH1A1HSD17B10TSHRSMN1; SMN2POLB
SCHEMBL9945634 0.74 PPARD (0.40) ALDH1A1HSD17B10PPARDTSHRALOX15
SCHEMBL15635559 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL17084061 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL11022451 0.71 FAAH (0.40) ALDH1A1LMNAHSD17B10PPARDTSHR

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-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 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-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA ALDH1A1 4197/4885LMNA 1400/4885HSD17B10 2565/4885

“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.