SCHEMBL10129907

SCHEMBL10129907

C/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.68
PRKAA2 P54646 1/20 0.61
NR1I2 O75469 1/20 0.60
NR4A2 P43354 1/20 0.60
PDE4D Q08499 1/20 0.60
HMGCR P04035 2/20 0.57
ADORA2A P29274 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL526489 1.00 RXRA (0.68) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL526488 1.00 RXRA (0.68) RXRAPRKAA2NR1I2NR4A2PDE4D
Nitrous Acid SCHEMBL6665052 0.93 RXRA (0.67) RXRAPRKAA2NR1I2NR4A2PDE4D
Nitrous Acid SCHEMBL7524974 0.93 RXRA (0.67) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL15247428 0.91 RXRA (0.56) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL18947956 0.87 RXRA (0.64) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL12192330 0.87 NR1I2 (0.65) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL18696397 0.86 RXRA (0.65) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL29466456 0.86 RXRA (0.75) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL1844436 0.86 RXRA (0.75) RXRAPRKAA2NR1I2NR4A2PDE4D

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 21 patents — showing the first 20. 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-20170226061-A1 CRYSTAL FORM OF QUINOLINE COMPOUND AND PROCESS FOR ITS PRODUCTION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-10 US disclosed
US-9676743-B2 Substituted 3-hydroxy-δ-lactones from epoxides CORNELL UNIVERSITY (US) 2017-06-13 US disclosed
US-9260423-B2 Process for the preparation of a thioprecursor for statins DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2016-02-16 US disclosed
US-9260423-B2 Process for the preparation of a thioprecursor for statins DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2016-02-16 US 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-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-20140343292-A1 PROCESS FOR THE PREPARATION OF A THIOPRECURSOR FOR STATINS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-11-20 US disclosed
US-20140343292-A1 PROCESS FOR THE PREPARATION OF A THIOPRECURSOR FOR STATINS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-11-20 US disclosed
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES CORNELL UNIVERSITY (US) 2014-04-17 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
US-8530677-B2 Substituted 3-hydroxy-delta-lactones from epoxides CORNELL UNIVERSITY (US) 2013-09-10 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-2013083719-A1 PROCESS FOR THE PREPARATION OF A THIOPRECURSOR FOR STATINS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-06-13 WO disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed
US-20110244016-A1 MEDICAL IMPLANT HAVING A COATING COMPOSED OF OR CONTAINING AT LEAST ONE ACTIVE SUBSTANCE BIOTRONIK AG (CH) 2011-10-06 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-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH RXRA 1879/4885PRKAA2 317/4885NR1I2 4025/4885
US-20140357864-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR HMGCR, PCSK9, DHCR7 RXRA 512/4885PRKAA2 842/4885NR1I2 1706/4885
US-20140343292-A1 PROCESS FOR THE PREPARATION OF A THIOPRECURSOR FOR STATINS HMGCR, TPMT, GRHPR RXRA 606/4885PRKAA2 1337/4885NR1I2 1733/4885
US-20170226061-A1 CRYSTAL FORM OF QUINOLINE COMPOUND AND PROCESS FOR ITS PRODUCTION VAT1, CACNA1A, VMP1 RXRA 3742/4885PRKAA2 2496/4885NR1I2 3919/4885
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 RXRA 539/4885PRKAA2 2398/4885NR1I2 1224/4885
US-20110244016-A1 MEDICAL IMPLANT HAVING A COATING COMPOSED OF OR CONTAINING AT LEAST ONE ACTIVE SUBSTANCE CD44, BDNF, S100P RXRA 1798/4885PRKAA2 4690/4885NR1I2 2800/4885

“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.