SCHEMBL821576

SCHEMBL821576

CC(CO)OC(=O)CC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PRKCA P17252 2/20 0.32
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL28166421 0.80 LMNA (0.42) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL28606988 0.77 PIK3CD (0.39) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL26065339 0.76 ALDH1A1 (0.33)
SCHEMBL489812 0.76 ALDH1A1 (0.52) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL821565 0.75
SCHEMBL5712403 0.75 MAPT (0.42) PRKCACHRM1TBXA2R
SCHEMBL5987577 0.73 TSHR (0.39) PIK3CDCHRM1TBXA2R
SCHEMBL11783608 0.73
SCHEMBL110032 0.71
SCHEMBL5987581 0.71 PIK3CD (0.39) PIK3CDCHRM1TBXA2R

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 PIK3CD 1868/4885PRKCA 2539/4885HMGCR 1688/4885

“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.