SCHEMBL526301

SCHEMBL526301

Fc1ccc(-c2[c]c(C3CC3)nc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.49
ADORA2A P29274 1/20 0.42
RXRA P19793 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.38
SCN9A Q15858 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GRM2 Q14416 1/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
NR1I2 O75469 1/20 0.36
NR4A2 P43354 1/20 0.36
PDE4D Q08499 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL9301750 0.79 TNKS (0.45) PRKAA2TNKSTNKS2PARP2PTGS1
SCHEMBL9300806 0.75 PTGS1 (0.36) PRKAA2ALDH1A1KMT2APTGS1PTGS2
SCHEMBL9302519 0.72 ADORA2A (0.43) ADORA2ATNKSTNKS2PARP2ALDH1A1
SCHEMBL8900960 0.70 MAPT (0.42) PRKAA2ADORA2AALDH1A1HPGDKMT2A
SCHEMBL3707071 0.70 GRM2 (0.53) PRKAA2ADORA2ARXRATNKSTNKS2
SCHEMBL753198 0.68 PRKAA2 (0.64) PRKAA2ADORA2ARXRAALDH1A1KMT2A
SCHEMBL14114892 0.68 PRKAA2 (0.68) PRKAA2ADORA2ARXRATNKSTNKS2
SCHEMBL526202 0.68 PRKAA2 (0.68) PRKAA2ADORA2ARXRATNKSTNKS2
SCHEMBL27512912 0.68 PRKAA2 (0.68) PRKAA2ADORA2ARXRATNKSTNKS2
SCHEMBL27950491 0.68 PRKAA2 (0.68) PRKAA2ADORA2ARXRATNKSTNKS2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-06-30 US claimed
CN-103508947-A Preparation method of pitavastatin calcium WEIHAI WEITAI PHARMACEUTICAL TECHNOLOGY DEV CO LTD 2014-01-15 CN claimed
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US claimed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP claimed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US claimed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP claimed
US-9701642-B2 Method for producing optically active 5-hydroxy-3-ketoester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-11 US disclosed
EP-3178812-A1 NOVEL POLYMORPHS OF PITAVASTATIN CALCIUM Hetero Research Foundation (IN) 2017-06-14 EP disclosed
US-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-06-30 US disclosed
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 EP disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 US disclosed
CN-103508947-A Preparation method of pitavastatin calcium WEIHAI WEITAI PHARMACEUTICAL TECHNOLOGY DEV CO LTD 2014-01-15 CN disclosed
EP-0641762-B1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES (JP) 1997-05-28 EP disclosed
US-5457225-A Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES LTD. (JP) 1995-10-10 US disclosed
EP-0641762-A1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US disclosed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP disclosed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US disclosed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 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 (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-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER CYP51A1, HSD3B1, CYP3A5 PRKAA2 966/4885ADORA2A 4321/4885RXRA 4113/4885
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH PRKAA2 317/4885ADORA2A 3765/4885RXRA 1879/4885

“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.