SCHEMBL4432057

SCHEMBL4432057

CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.84
CYP2C9 P11712 4/20 0.84
SIRT6 Q8N6T7 2/20 0.84
NR4A2 P43354 2/20 0.84
PDE4D Q08499 2/20 0.84
TBXA2R P21731 2/20 0.84
ADRA1A P35348 2/20 0.84
ABCC3 O15438 1/20 0.84
ABCB11 O95342 1/20 0.84
PGR P06401 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
RXRA P19793 1/20 0.84
CCKAR P32238 1/20 0.84
PTGS2 P35354 1/20 0.84
SLC10A1 Q14973 1/20 0.84
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70

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
SCHEMBL4432064 1.00 HMGCR (0.84) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL4421553 0.94 HMGCR (0.86) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL4421545 0.94 HMGCR (0.86) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL15686548 0.92 HMGCR (0.84) HMGCRCYP2C9SIRT6NR4A2PDE4D
Fluvastatin SCHEMBL23468028 0.91 HMGCR (1.00) HMGCRCYP2C9SIRT6NR4A2PDE4D
Fluvastatin SCHEMBL2848 0.91 HMGCR (1.00) HMGCRCYP2C9SIRT6NR4A2PDE4D
Fluvastatin SCHEMBL6268460 0.91 HMGCR (1.00) HMGCRCYP2C9SIRT6NR4A2PDE4D
Fluvastatin SCHEMBL13501651 0.91 HMGCR (1.00) HMGCRCYP2C9SIRT6NR4A2PDE4D
Fluvastatin SCHEMBL628757 0.91 HMGCR (1.00) HMGCRCYP2C9SIRT6NR4A2PDE4D
Fluvastatin SCHEMBL2849 0.91 HMGCR (1.00) HMGCRCYP2C9SIRT6NR4A2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005023305-A2 MODULATING CELL ACTIVITY BY USING AN AGENT THAT REDUCES THE LEVEL OF CHOLESTEROL WITHIN A CELL INPHARMATICA LIMITED (GB) 2005-03-17 WO claimed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
WO-2005023305-A2 MODULATING CELL ACTIVITY BY USING AN AGENT THAT REDUCES THE LEVEL OF CHOLESTEROL WITHIN A CELL INPHARMATICA LIMITED (GB) 2005-03-17 WO 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 (2 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 HMGCR 12/4885CYP2C9 23/4885SIRT6 3096/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 HMGCR 2474/4885CYP2C9 357/4885SIRT6 2719/4885

“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.