SCHEMBL9906

SCHEMBL9906

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC1OCCO1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.72
SLCO1B1 Q9Y6L6 4/20 0.72
ABCB1 P08183 1/20 0.72
ABCC2 Q92887 1/20 0.72
ABCB11 O95342 3/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
NR1I2 O75469 1/20 0.66
RHOC P08134 1/20 0.66
CYP3A4 P08684 1/20 0.66
THRB P10828 1/20 0.66
NR1H4 Q96RI1 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.66
ABCC3 O15438 2/20 0.64
ABCC4 O15439 2/20 0.64
SLCO1B3 Q9NPD5 2/20 0.64
PDE6D O43924 4/20 0.64

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
SCHEMBL9364849 0.90 HMGCR (0.66) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL14414149 0.87 SLCO1B1 (0.80) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL12073345 0.86 HMGCR (0.72) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL14142005 0.86 SLCO1B1 (0.69) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL14142004 0.86 SLCO1B1 (0.69) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL5808035 0.86 SLCO1B1 (0.66) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL5809239 0.85 HMGCR (0.71) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL12192335 0.85 HMGCR (0.77) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL12210219 0.85 SLCO1B1 (0.75) HMGCRSLCO1B1ABCB1ABCC2ABCB11
SCHEMBL10018612 0.85 SLCO1B1 (0.75) HMGCRSLCO1B1ABCB1ABCC2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240442-B1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO LTD (KR) 2012-06-20 EP disclosed
US-8124790-B2 Preparation process useful in synthesis of atorvastatin MEDICHEM KOREA CO., LTD. (KR) 2012-02-28 US disclosed
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US disclosed
WO-2009084773-A2 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA. CO., LTD. (KR) 2009-07-09 WO disclosed
WO-2009054693-A2 PROCESS FOR THE PREPARATION OF ATORVASTATIN DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-04-30 WO disclosed
US-4681893-A Trans-6-[2-(3- or 4-carboxamido-substituted pyrrol-1-yl)alkyl]-4-hydroxypyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1987-07-21 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-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN HMGCR, DHCR7, LIPA HMGCR 1/4885SLCO1B1 776/4885ABCB1 921/4885

“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.