SCHEMBL10073528

SCHEMBL10073528

COC(=O)CC[C@H]1OC(=O)[C@H]1CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
DAGLA Q9Y4D2 4/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
MGLL Q99685 1/20 0.34
BRD4 O60885 1/20 0.34
PRKCA P17252 2/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
MAPT P10636 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL13310153 1.00 TSHR (0.39) TSHRDAGLACNR1CNR2SIRT2
SCHEMBL10083943 1.00 TSHR (0.39) TSHRDAGLACNR1CNR2SIRT2
SCHEMBL26754374 0.83 DAGLA (0.36) TSHRDAGLACNR1CNR2MGLL
SCHEMBL26754371 0.76 CYP3A4 (0.37) TSHRDAGLACNR1CNR2MGLL
SCHEMBL10595512 0.67 TSHR (0.43) TSHRMAPTHSD17B10GAAALDH1A1
SCHEMBL19714328 0.65 TSHR (0.58) TSHRSIRT2MAPTHSD17B10ALDH1A1
SCHEMBL10848706 0.64 TSHR (0.40) TSHRSIRT2BRD4MAPTHSD17B10
SCHEMBL10038782 0.63 TSHR (0.39) TSHRSIRT2MAPTHSD17B10GAA
SCHEMBL14104694 0.63 TSHR (0.39) TSHRSIRT2MAPTHSD17B10GAA
SCHEMBL11687845 0.63 HSD17B10 (0.52) TSHRBRD4MAPTHSD17B10GAA

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-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 TSHR 4308/4885DAGLA 228/4885CNR1 1240/4885

“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.