SCHEMBL6764728

SCHEMBL6764728

Cc1ccc(-c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 11/20 0.92
ABCB11 O95342 3/20 0.92
SLCO1B1 Q9Y6L6 3/20 0.92
HDAC1 Q13547 2/20 0.92
HDAC2 Q92769 2/20 0.92
HDAC6 Q9UBN7 2/20 0.92
NR1I2 O75469 1/20 0.92
RHOC P08134 1/20 0.92
CYP3A4 P08684 1/20 0.92
THRB P10828 1/20 0.92
NR1H4 Q96RI1 1/20 0.92
ABCG2 Q9UNQ0 1/20 0.92
ABCC3 O15438 2/20 0.80
ABCC4 O15439 2/20 0.80
SLCO1B3 Q9NPD5 2/20 0.80
PDE6D O43924 3/20 0.72

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
SCHEMBL6763414 0.99 HMGCR (0.90) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL23651731 0.98 HMGCR (0.92) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL28392272 0.97 HMGCR (0.98) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL6764100 0.97 HMGCR (0.98) HMGCRABCB11SLCO1B1HDAC1HDAC2
Atorvastatin SCHEMBL13900412 0.96 HMGCR (1.00) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL21637576 0.96 HMGCR (1.00) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL6761198 0.96 HMGCR (0.97) HMGCRABCB11SLCO1B1HDAC1HDAC2
Atorvastatin SCHEMBL6266705 0.96 HMGCR (1.00) HMGCRABCB11SLCO1B1HDAC1HDAC2
Atorvastatin SCHEMBL8257670 0.96 HMGCR (1.00) HMGCRABCB11SLCO1B1HDAC1HDAC2
Atorvastatin SCHEMBL465015 0.96 HMGCR (1.00) HMGCRABCB11SLCO1B1HDAC1HDAC2

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-20040102511-A1 Substituted pyrrole derivatives RANBAXY LABORATORIES LIMITED (IN) 2004-05-27 US claimed
US-11066391-B1 Atorvastatin derived HMG-CoA reductase degradation inducing compound UPPTHERA (KR) 2021-07-20 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 (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-20040102511-A1 Substituted pyrrole derivatives HMGCR, PC, CYP46A1 HMGCR 1/4885ABCB11 660/4885SLCO1B1 3312/4885
US-11066391-B1 Atorvastatin derived HMG-CoA reductase degradation inducing compound HMGCR, LDLR, HMGB2 HMGCR 1/4885ABCB11 1537/4885SLCO1B1 2676/4885

“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.