SCHEMBL4428234

SCHEMBL4428234

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(O)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 0.85
SLCO1B1 Q9Y6L6 4/20 0.85
ABCB11 O95342 3/20 0.85
HDAC1 Q13547 2/20 0.85
HDAC2 Q92769 2/20 0.85
HDAC6 Q9UBN7 2/20 0.85
NR1I2 O75469 1/20 0.85
RHOC P08134 1/20 0.85
CYP3A4 P08684 1/20 0.85
THRB P10828 1/20 0.85
NR1H4 Q96RI1 1/20 0.85
ABCG2 Q9UNQ0 1/20 0.85
ABCC3 O15438 2/20 0.74
ABCC4 O15439 2/20 0.74
SLCO1B3 Q9NPD5 2/20 0.74
PDE6D O43924 3/20 0.66
ABCB1 P08183 1/20 0.49
ABCC2 Q92887 1/20 0.49

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
SCHEMBL4428595 0.95 HMGCR (0.90) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL4787702 0.95 HMGCR (0.90) HMGCRSLCO1B1ABCB11HDAC1HDAC2
Bms241423 SCHEMBL5067255 0.95 HMGCR (0.92) HMGCRSLCO1B1ABCB11HDAC1HDAC2
Bms241423 SCHEMBL4785660 0.95 HMGCR (0.92) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL27952561 0.94 HMGCR (0.88) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL10108890 0.93 HMGCR (0.85) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL820410 0.93 HMGCR (0.85) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL15492882 0.93 HMGCR (0.85) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL820557 0.92 HMGCR (0.84) HMGCRSLCO1B1ABCB11HDAC1HDAC2
Atorvastatin SCHEMBL8257670 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB11HDAC1HDAC2

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 12/4885SLCO1B1 157/4885ABCB11 20/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 HMGCR 2474/4885SLCO1B1 2341/4885ABCB11 923/4885

“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.