SCHEMBL43307

SCHEMBL43307

COc1ccc2c(c1)CC(=O)CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.53
DRD1 P21728 8/20 0.53
DRD5 P21918 8/20 0.53
DRD2 P14416 8/20 0.53
DRD3 P35462 8/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD4 P21917 5/20 0.49
BCL2 P10415 1/20 0.49
CYP2A6 P11509 1/20 0.48
MAOB P27338 2/20 0.46
NOTUM Q6P988 1/20 0.44

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
SCHEMBL29940518 1.00 METAP1 (0.53) METAP1DRD1DRD5DRD2DRD3
SCHEMBL227363 0.93 CYP1A2 (0.60) METAP1DRD1DRD5DRD2DRD3
Sulfurous Acid SCHEMBL6400949 0.92 CYP1A2 (0.47) METAP1DRD1DRD5DRD2DRD3
SCHEMBL3813236 0.89 DRD1 (0.52) METAP1DRD1DRD5DRD2DRD3
SCHEMBL2062199 0.89 DRD1 (0.54) METAP1DRD1DRD5DRD2DRD3
SCHEMBL4041676 0.86 METAP1 (0.58) METAP1DRD1DRD5DRD2DRD3
SCHEMBL27844091 0.84 CYP1A2 (0.49) METAP1DRD1DRD5DRD2DRD3
SCHEMBL27843792 0.84 CYP1A2 (0.49) METAP1DRD1DRD5DRD2DRD3
SCHEMBL228868 0.82 DRD1 (0.56) METAP1DRD1DRD5DRD2DRD3
SCHEMBL14172824 0.82 DRD1 (0.56) METAP1DRD1DRD5DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678788-B 1, 2-diaryl indole, derivative and synthetic method thereof 湘潭大学 2021-05-04 CN claimed
CN-107722146-B Method for producing solid polyaluminoxane composition 三井化学株式会社 2021-02-26 CN claimed
CN-107619386-B Aromatic ring [ c ] carbazole derivative and synthesis method thereof 湘潭大学 2020-10-13 CN claimed
CN-107619386-A A kind of aromatic ring simultaneously [c] carbazole analog derivative and its synthetic method 湘潭大学 2018-01-23 CN claimed
CN-104910002-B A kind of preparation method of dezocine key intermediate 温州医科大学 2017-11-03 CN claimed
EP-2623593-B1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE KANEKA CORP (JP) 2017-07-12 EP claimed
EP-2684953-B1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORP (JP) 2017-06-28 EP claimed
EP-2623595-B1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF KANEKA CORP (JP) 2016-11-02 EP claimed
US-9481870-B2 Nucleic acid encoding a polypeptide having aminotransferase activity, vectors and host cells comprising the nucleic acid KANEKA CORPORATION (JP) 2016-11-01 US claimed
CN-103534353-B Modification type aminopherase, its gene and utilize their manufacture method of optical activity amino-compound 株式会社钟化 2016-08-17 CN claimed
EP-1553170-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2012-06-27 EP claimed
US-7531329-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2009-05-12 US claimed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP claimed
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION 2007-08-02 US claimed
US-7074770-B1 Method of DNA vaccination SMITHKLINE BEECHAM CORPORATION (US) 2006-07-11 US claimed
US-20060035357-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2006-02-16 US claimed
EP-1553170-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2005-07-13 EP claimed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP claimed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
EP-0286516-B1 Amino-5,6,7,8-tetrahydro-naphtho[2,3b]furan derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-03-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same PYCR1, CBR3, CBR1 METAP1 1034/4885DRD1 2439/4885DRD5 2043/4885

“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.