SCHEMBL6325

SCHEMBL6325

COC(OC)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.37
ESR1 P03372 1/20 0.33
HSD11B1 P28845 1/20 0.32
OPRL1 P41146 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL29369499 1.00 CYP2C19 (0.44) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL10992504 0.91 CYP2C19 (0.41) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL1567097 0.87 CYP2C19 (0.43) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL17864869 0.82 ESR1 (0.40) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL5840772 0.80 ALDH1A1 (0.34) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL29691210 0.79 CYP2C19 (0.46) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL18865623 0.79 CYP2C19 (0.46) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL6205004 0.79 CYP2C19 (0.44) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL1302413 0.79 NQO2 (0.36) CYP2C19ALDH1A1CYP3A4ALOX15IDO1
SCHEMBL6205005 0.77 CYP2C19 (0.45) CYP2C19ALDH1A1CYP3A4ALOX15IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165421-A1 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) Bayer Pharma AG (DE) 2013-06-27 US claimed
US-8324412-B2 Method for preparing 4-[17β-methoxy-17α-methoxymethyl-3-oxoestra-4,9-dien-11β-yl]benzaldehyde (E)-oxime (asoprisnil) Bayer Pharma AG (DE) 2012-12-04 US claimed
US-20110257142-A1 METHOD FOR PREPARING 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-10-20 US claimed
US-20090054387-A1 Method for preparing 4-[17beta-methoxy-17alpha-methoxymethyl-3-oxestra-4,9-dien-11beta-yl]benzaldehyde (E)-oxime (asoprisnil) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-26 US claimed
EP-2010555-A2 METHOD FOR PREPARING 4-[17BETA -METHOXY-17 -ALPHA METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11BETA -YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-07 EP claimed
WO-2007118717-A2 METHOD FOR PREPARING 4-[17β-METHOXY-17α-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11β-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-25 WO claimed
US-12377404-B2 Homogeneous single site catalyst and its use in preparing linear polyethylene COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2025-08-05 US disclosed
US-20250195483-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMA (US) 2025-06-19 US disclosed
EP-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-5070103-A ANTILIPEMIC AGENTS, ARTERIOSCLEROSIS TANABE SEIYAKU CO., LTD. (JP) 1991-12-03 US disclosed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed
EP-0059983-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR USE AS A MEDICAMENT THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-11 EP disclosed
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US disclosed
EP-0059983-A1 Substituted biphenyl compounds for use as a medicament THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-15 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 (5 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-20090054387-A1 Method for preparing 4-[17beta-methoxy-17alpha-methoxymethyl-3-oxestra-4,9-dien-11beta-yl]benzaldehyde (E)-oxime (asoprisnil) CYP19A1, CYP2C19, CYP17A1 CYP2C19 2/4885ALDH1A1 121/4885CYP3A4 30/4885
US-20250195483-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, SAAL1 CYP2C19 4641/4885ALDH1A1 1983/4885CYP3A4 4469/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2C19 4831/4885ALDH1A1 3616/4885CYP3A4 4344/4885
US-20130165421-A1 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) CYP19A1, CYP2C19, CYP17A1 CYP2C19 2/4885ALDH1A1 116/4885CYP3A4 23/4885
US-20110257142-A1 METHOD FOR PREPARING 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) CYP19A1, CYP2C19, CYP17A1 CYP2C19 2/4885ALDH1A1 114/4885CYP3A4 26/4885

“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.