SCHEMBL10054698

SCHEMBL10054698

CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.69
SLCO1B1 Q9Y6L6 4/20 0.69
ABCB11 O95342 3/20 0.69
HDAC1 Q13547 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
NR1I2 O75469 1/20 0.69
RHOC P08134 1/20 0.69
CYP3A4 P08684 1/20 0.69
THRB P10828 1/20 0.69
NR1H4 Q96RI1 1/20 0.69
ABCG2 Q9UNQ0 1/20 0.69
ABCC3 O15438 2/20 0.67
ABCC4 O15439 2/20 0.67
SLCO1B3 Q9NPD5 2/20 0.67
ABCB1 P08183 1/20 0.63
ABCC2 Q92887 1/20 0.63
PDE6D O43924 3/20 0.59

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
SCHEMBL12073345 0.92 HMGCR (0.72) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL14308682 0.90 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL14318919 0.89 HMGCR (0.69) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5809239 0.89 HMGCR (0.71) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL2546119 0.89 HMGCR (0.66) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12192335 0.89 HMGCR (0.77) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL6469721 0.88 HMGCR (0.68) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5806847 0.88 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5809438 0.88 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL19963503 0.88 HMGCR (0.65) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 US disclosed
US-20130178636-A1 ESTERS OF HEXANOIC ACIDS AS INTERMEDIATES FOR THE PREPARATION OF ATORVASTATIN DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-07-11 US disclosed
US-20130178636-A1 ESTERS OF HEXANOIC ACIDS AS INTERMEDIATES FOR THE PREPARATION OF ATORVASTATIN DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-07-11 US disclosed
US-8148550-B2 selected from fluvastatin, rosuvastatin, cerivastatin, glenvastatin or atorvastatin, by reduction or lactonization of chemical intermediate compounds, then hydrogenation, decyclization and deprotection of hydroxy groups RATIOPHARM GMBH (DE) 2012-04-03 US disclosed
US-20110098314-A1 STATINS FOR THE TREATMENT OF OCULAR HYPERTENSION AND GLAUCOMA ALCON, INC. (CH) 2011-04-28 US disclosed
US-7777056-B2 Method for manufacture of 4-hydroxy pyran-2-one derivatives LUPIN LTD. (IN) 2010-08-17 US disclosed
US-7777056-B2 Method for manufacture of 4-hydroxy pyran-2-one derivatives LUPIN LTD. (IN) 2010-08-17 US disclosed
US-20080269508-A1 Method for Manufacture of 4-Hydroxy Pyran-2-One Derivatives LUPIN LTD. (IN) 2008-10-30 US disclosed
US-20080269508-A1 Method for Manufacture of 4-Hydroxy Pyran-2-One Derivatives LUPIN LTD. (IN) 2008-10-30 US disclosed
US-20080249306-A1 Method for the Production of Statins RATIOPHARM GMBH (DE) 2008-10-09 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 (6 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-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE FABP3, TNNI3, TNNT2 HMGCR 18/4885SLCO1B1 3158/4885ABCB11 753/4885
US-20080269508-A1 Method for Manufacture of 4-Hydroxy Pyran-2-One Derivatives HPD, DHODH, OXGR1 HMGCR 310/4885SLCO1B1 1782/4885ABCB11 3652/4885
US-20130178636-A1 ESTERS OF HEXANOIC ACIDS AS INTERMEDIATES FOR THE PREPARATION OF ATORVASTATIN HMGCR, FFAR3, HSD17B12 HMGCR 1/4885SLCO1B1 183/4885ABCB11 638/4885
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. FABP3, TNNI3, TNNT2 HMGCR 16/4885SLCO1B1 3185/4885ABCB11 512/4885
US-20080249306-A1 Method for the Production of Statins HMGCR, COASY, PCSK9 HMGCR 1/4885SLCO1B1 898/4885ABCB11 743/4885
US-20110098314-A1 STATINS FOR THE TREATMENT OF OCULAR HYPERTENSION AND GLAUCOMA HMGCR, HMGB2, GRHPR HMGCR 1/4885SLCO1B1 939/4885ABCB11 1846/4885

“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.