SCHEMBL16299703

SCHEMBL16299703

C=CC(C)(C)C(=O)NCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 5/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
EPHX2 P34913 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
BIRC2 Q13490 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL12388730 0.76 TET2 (0.54) TET2RECQLALDH1A1LMNATSHR
SCHEMBL4813094 0.72 TSHR (0.52) TET2RECQLALDH1A1LMNATSHR
SCHEMBL19112483 0.71 TET2 (0.48) TET2RECQLALDH1A1LMNATSHR
SCHEMBL28972402 0.71 LMNA (0.56) RECQLALDH1A1LMNATSHRKDM4E
SCHEMBL14440671 0.70 TET2 (0.52) TET2RECQLALDH1A1TSHRHSD17B10
SCHEMBL9477697 0.69 TET2 (0.47) TET2RECQLALDH1A1LMNATSHR
SCHEMBL10266048 0.69 TET2 (0.47) TET2RECQLALDH1A1LMNATSHR
SCHEMBL7889565 0.69 TET2 (0.47) TET2RECQLALDH1A1LMNATSHR
SCHEMBL22753025 0.69 POLB (0.37) ALDH1A1TSHRGAACA12CA2
SCHEMBL7826416 0.69

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-8088923-B2 Cyclic-fused beta-lactones and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2009-03-05 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-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS COASY, FASN, OTUB1 TET2 2380/4885RECQL 3474/4885ALDH1A1 1236/4885

“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.