SCHEMBL822145

SCHEMBL822145

CC(O)COC(=O)CC(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.41
PIK3CD O00329 1/20 0.38
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PGD P52209 2/20 0.31
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
PRKCA P17252 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL31058602 0.85 TSHR (0.42) MAPTMAPK1PIK3CDTSHRHSD17B10
SCHEMBL22115381 0.80 MAPT (0.44) MAPTMAPK1TSHRPRKCA
SCHEMBL13265199 0.76 MAPT (0.49) MAPTMAPK1PIK3CDADRB2ADRB1
SCHEMBL489813 0.76 ALDH1A1 (0.52) MAPTMAPK1TSHRKDM4EMEN1
SCHEMBL822396 0.75 MAPT (0.67) MAPTMAPK1TSHRHSD17B10KDM4E
SCHEMBL822223 0.75
SCHEMBL14566774 0.75
SCHEMBL822244 0.75 MAPT (0.55) MAPTMAPK1ADRB2ADRB1ADRB3
SCHEMBL17964189 0.74 MAPK1 (0.44) MAPTMAPK1TSHRHSD17B10PGD
SCHEMBL16195909 0.73 MAPK1 (0.40) MAPTMAPK1PIK3CDHSD17B10PGD

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-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 MAPT 826/4885MAPK1 1917/4885PIK3CD 1868/4885

“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.