SCHEMBL6700618

SCHEMBL6700618

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CPT2 P23786 2/20 0.39
ACLY P53396 1/20 0.39
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL27845222 0.79 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL3501612 0.78 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL10940349 0.78 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL22965333 0.76 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1603820 0.74 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL59972 0.74 ACLY (0.58) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1409965 0.74 ACLY (0.58) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1462468 0.74 ACLY (0.58) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1572172 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1604921 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171608-A1 Synthesis of clasto-lactacystin beta-lactone and analogs thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-09-02 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-20040171608-A1 Synthesis of clasto-lactacystin beta-lactone and analogs thereof PSMB7, PSMB5, PSMB1 HMGCR 2970/4885CHRM1 4423/4885TBXA2R 4627/4885

“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.