SCHEMBL12073345

SCHEMBL12073345

CCCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.72
SLCO1B1 Q9Y6L6 4/20 0.72
ABCB11 O95342 3/20 0.72
HDAC1 Q13547 2/20 0.72
HDAC2 Q92769 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
NR1I2 O75469 1/20 0.72
RHOC P08134 1/20 0.72
CYP3A4 P08684 1/20 0.72
THRB P10828 1/20 0.72
NR1H4 Q96RI1 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.72
ABCC3 O15438 2/20 0.70
ABCC4 O15439 2/20 0.70
SLCO1B3 Q9NPD5 2/20 0.70
ABCB1 P08183 1/20 0.66
ABCC2 Q92887 1/20 0.66
PDE6D O43924 4/20 0.62

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
SCHEMBL14318919 0.93 HMGCR (0.69) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL6469721 0.92 HMGCR (0.68) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL10054698 0.92 HMGCR (0.69) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12192335 0.91 HMGCR (0.77) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5809239 0.91 HMGCR (0.71) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5809438 0.90 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5806847 0.90 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL1290 0.89 HMGCR (0.69) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL22604024 0.89 HMGCR (0.69) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5804692 0.89 HMGCR (0.69) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025343-A1 CARBONYL REDUCTASE, NUCLEIC ACID ENCODING SAME, AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING SAME API CORPORATION (JP) 2023-01-26 US disclosed
EP-2788342-B1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-01-24 EP disclosed
WO-2017137469-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2017-08-17 WO disclosed
US-8987478-B2 Process for the preparation of a statin precursor DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-03-24 US disclosed
US-8987478-B2 Process for the preparation of a statin precursor DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-03-24 US disclosed
US-20140357864-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-12-04 US disclosed
US-20140357864-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-12-04 US disclosed
WO-2013083718-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-06-13 WO disclosed
WO-2011160974-A2 STATIN DERIVATIVES NICOX S.A. (FR) 2011-12-29 WO disclosed
US-7563909-B2 Nitrate derivatives of atorvastatin with improved pharmacological activity and enhanced tolerability; coronary syndromes, neurodegenerative disorders, and for reducing cholesterol levels; antiinflammatory, antithrombotic and antiplatelet activity; fluvastatin 4-(nitrooxy)butyl ester NICOX S.A. (FR) 2009-07-21 US disclosed
WO-2009000592-A1 USE OF NITRIC OXIDE-RELEASING STATINS IN THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NICOX S.A. (FR) 2008-12-31 WO disclosed
US-7462716-B2 Statin derivatives NICOX S.A. (FR) 2008-12-09 US disclosed
US-20080096908-A1 Statin derivatives NICOX S.A. 2008-04-24 US disclosed
US-20080090857-A1 Nitrate derivatives of atorvastatin with improved pharmacological activity and enhanced tolerability; treating coronary syndromes, neurodegenerative disorders, and for reducing cholesterol levels; antiinflammatory, antithrombotic and antiplatelet activity; atorvastatin 4-(nitrooxy)butyl ester NICOX S.A. 2008-04-17 US disclosed
US-7297808-B2 Statin derivatives NICOX S.A. (FR) 2007-11-20 US disclosed
US-20070072942-A1 Statin derivatives NICOX S.A. 2007-03-29 US disclosed
EP-1626716-B1 NITROOXYDERIVATIVES OF FLUVASTATIN, PRAVASTATIN, CERIVASTATIN, ATORVASTATIN AND ROSUVASTATIN AS CHOLESTEROL-REDUCING AGENTS WITH IMPROVED ANTI-INFLAMMATORY, ANTITHROMBOTIC AND ANTIPLATELET ACTIVITY NICOX SA (FR) 2007-02-07 EP 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 (4 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-20140357864-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR HMGCR, PCSK9, DHCR7 HMGCR 1/4885SLCO1B1 493/4885ABCB11 1091/4885
US-20070072942-A1 Statin derivatives HMGCR, PCSK9, TNNT2 HMGCR 1/4885SLCO1B1 1995/4885ABCB11 2217/4885
US-20080096908-A1 Statin derivatives HMGCR, PCSK9, TNNT2 HMGCR 1/4885SLCO1B1 1995/4885ABCB11 2217/4885
US-20080090857-A1 Nitrate derivatives of atorvastatin with improved pharmacological activity and enhanced tolerability; treating coronary syndromes, neurodegenerative disorders, and for reducing cholesterol levels; antiinflammatory, antithrombotic and antiplatelet activity; atorvastatin 4-(nitrooxy)butyl ester HMGCR, NOS1, NOS3 HMGCR 1/4885SLCO1B1 2376/4885ABCB11 1470/4885

“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.