SCHEMBL3630009

SCHEMBL3630009

COc1ccc(OCC(O)CCl)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.59
KMT2A Q03164 5/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 2/20 0.53
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
ADRB3 P13945 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7090393 0.90 AR (0.64) ARKMT2AMAPTMEN1ALDH1A1
SCHEMBL10485801 0.85 POLB (0.53) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL1496592 0.85 USP2 (0.60) ARKMT2AMAPTMEN1ALDH1A1
SCHEMBL12517404 0.84 AR (0.58) ARMAPTALDH1A1MAPK1HPGD
SCHEMBL7088414 0.84 AR (0.58) ARKMT2AMAPTMEN1ALDH1A1
SCHEMBL11256374 0.82 PTGS1 (0.57) ARMAPTALDH1A1HTTPOLB
SCHEMBL11256369 0.82 PTGS1 (0.57) ARMAPTALDH1A1HTTPOLB
SCHEMBL1496665 0.82 POLB (0.57) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL1496562 0.82 CYP1A2 (0.60) ARKMT2AMAPTMEN1ALDH1A1
SCHEMBL6493739 0.82 TSHR (0.69) ARKMT2AMAPTMEN1ALDH1A1

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-7728179-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-01 US disclosed
US-7591995-B2 Cobalamin conjugates useful as imaging and therapeutic agents MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-09-22 US disclosed
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-20090162281-A1 Radionuclide labeling of Vitamin B12 and Co-enzymes thereof COLLINS DOUGLAS A 2009-06-25 US disclosed
US-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
US-7462345-B2 Radionuclide labeling of vitamin B12 and coenzymes thereof MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-12-09 US disclosed
WO-2008136850-A2 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-11-13 WO disclosed
EP-1982972-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 EP disclosed
US-20070116644-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-05-24 US disclosed
US-20070110667-A1 Radionuclide labeling of vitamin B12 and coenzymes thereof MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2007-05-17 US disclosed
EP-0883627-B1 RADIONUCLIDE LABELING OF VITAMIN B12 AND COENZYMES THEREOF MAYO FOUNDATION (US) 2002-04-03 EP disclosed
WO-2001028595-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-04-26 WO disclosed
US-6211355-B1 REACTING COBALAMIN COMPOUND WITH CHELATING COMPOUND TO COMPOUND USEFUL FOR IN VIVO IMAGING OF ORGANS AND TUMORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2001-04-03 US disclosed
US-6096290-A ADMINISTERING COBALAMIN DERIVATIVES FOR IMAGING AND TREATMENT OF TUMORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-08-01 US disclosed
US-6004533-A COMPOUND USEFUL FOR IN VIVO IMAGING OF ORGANS AND TUMORS MAYO MEDICAL VENTURES (US) 1999-12-21 US disclosed
EP-0883627-A1 RADIONUCLIDE LABELING OF VITAMIN B12 AND COENZYMES THEREOF MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1998-12-16 EP disclosed
US-5739313-A FOR IN VIVO IMAGING OF ORGANS AND TUMORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-04-14 US disclosed
WO-1997018231-A1 RADIONUCLIDE LABELING OF VITAMIN B12 AND COENZYMES THEREOF MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1997-05-22 WO disclosed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 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 (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-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 AR 230/4885KMT2A 1076/4885MAPT 4240/4885
US-20070116644-A1 COBALAMIN CONJUGATES USEFUL AS IMAGING AND THERAPEUTIC AGENTS MMAB, SLC19A1, SLC19A2 AR 4856/4885KMT2A 3214/4885MAPT 3139/4885
US-20070110667-A1 Radionuclide labeling of vitamin B12 and coenzymes thereof MMAB, SLC39A14, SLC19A1 AR 3262/4885KMT2A 4289/4885MAPT 3802/4885
US-20090162281-A1 Radionuclide labeling of Vitamin B12 and Co-enzymes thereof HMBS, MMAB, HCCS AR 4414/4885KMT2A 4289/4885MAPT 4701/4885

“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.