SCHEMBL5794634

SCHEMBL5794634

COc1ccccc1OCC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
APP P05067 1/20 0.47
AGTR1 P30556 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MIF P14174 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
SCHEMBL13449767 0.91 KDM4E (0.41) CA12CA1CA2CA4CA7
SCHEMBL6171927 0.83 CA12 (0.52) CA12CA1CA2CA4CA7
SCHEMBL26825677 0.83 ALDH1A1 (0.52) L3MBTL1TDP1CYP1A2ALDH1A1MAPT
SCHEMBL2456174 0.82 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL2350321 0.81 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL16744336 0.81 PIM1 (0.36) CA12CA1CA2CA4CA7
SCHEMBL2354995 0.81 PIM1 (0.36) CA12CA1CA2CA4CA7
SCHEMBL11988218 0.79 L3MBTL1 (0.55) CA12CA1CA2CA4CA7
SCHEMBL6357684 0.79 SMN1; SMN2 (0.47) CA12CA1CA2CA4CA7
SCHEMBL8083251 0.78 ALDH1A1 (0.48) L3MBTL1TDP1LMNACYP1A2ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
WO-2006052899-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISORDERS NITROMED, INC. (US) 2006-05-18 WO disclosed
WO-2006030199-A1 POLYMERISATION CATALYSTS INEOS EUROPE LIMITED (GB) 2006-03-23 WO disclosed
WO-2006030192-A1 POLYOLEFINS INEOS EUROPE LIMITED (GB) 2006-03-23 WO disclosed
EP-1606294-A1 POLYMERISATION CATALYSTS Innovene Europe Limited (GB) 2005-12-21 EP disclosed
WO-2004083221-A1 POLYMERISATION CATALYSTS INNOVENE EUROPE LIMITED (GB) 2004-09-30 WO disclosed
EP-0647216-A4 INHIBITION OF THE FORMATION OF NITROSAMINES. 1995-05-17 EP disclosed
EP-0647216-A1 INHIBITION OF THE FORMATION OF NITROSAMINES SOLVAY INTEROX (US) 1995-04-12 EP disclosed
US-5324857-A Adding free radical scavenger comprising phenol, aromatic polyol, thiol, or disulfide and chelating agent SOLVAY INTEROX (US) 1994-06-28 US disclosed
WO-1993022273-A1 INHIBITION OF THE FORMATION OF NITROSAMINES SOLVAY INTEROX (US) 1993-11-11 WO 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CA12 2969/4885CA1 4385/4885CA2 4764/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 CA12 4608/4885CA1 4279/4885CA2 2837/4885

“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.