SCHEMBL1195693

SCHEMBL1195693

COC(=O)[C@H](C)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC1A1 P43005 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ESRRB O95718 1/20 0.47
MME P08473 1/20 0.46
FOLH1 Q04609 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL4909047 1.00 KMT2A (0.49) KMT2AALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4906646 1.00 KMT2A (0.49) KMT2AALDH1A1THRBCYP2C9CYP2C19
SCHEMBL3895456 0.92 ALDH1A1 (0.45) KMT2AALDH1A1THRBCYP2C9CYP2C19
SCHEMBL21246536 0.88 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1SLC1A1CA1
SCHEMBL392233 0.85 LMNA (0.54) KMT2AALDH1A1HSD17B10L3MBTL1SLC1A1
SCHEMBL3034357 0.84 SLC1A1 (0.55) KMT2AALDH1A1CYP2C9CYP2C19SLC1A1
SCHEMBL800946 0.84 SLC1A1 (0.55) KMT2AALDH1A1CYP2C9CYP2C19SLC1A1
SCHEMBL7494382 0.84 SLC1A1 (0.55) KMT2AALDH1A1CYP2C9CYP2C19SLC1A1
SCHEMBL2405829 0.84 TDP1 (0.44) KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2405831 0.84 TDP1 (0.44) KMT2AALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008531-B2 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis The Florida State University Research Foundation, Inc. (US) 2011-08-30 US disclosed
CN-102010403-A Total Synthesis of pladienolide B and pladienolide D EISAI R&D MAN CO LTD 2011-04-13 CN disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7915437-B2 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-03-29 US disclosed
US-7884128-B2 reacting 11-{[tert-butyl(dimethyl)silyl]oxy}-7-[(E)-2-formyl-1-methyleth-1-en-1-yl]-6,13a-dimethyl-2-phenyl-3a,6,7,10,11,12,13,13a-octahydro-9H-[1,3]dioxolo[4,5-f]oxacyclododecin-9-one with 2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propyl}oxiran-2-yl)pentane-3-ol, to form pladienolide analogues EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-08 US disclosed
US-7884128-B2 reacting 11-{[tert-butyl(dimethyl)silyl]oxy}-7-[(E)-2-formyl-1-methyleth-1-en-1-yl]-6,13a-dimethyl-2-phenyl-3a,6,7,10,11,12,13,13a-octahydro-9H-[1,3]dioxolo[4,5-f]oxacyclododecin-9-one with 2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propyl}oxiran-2-yl)pentane-3-ol, to form pladienolide analogues EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-08 US disclosed
CN-101282967-B Total synthesis of pladienolide b and pladienolide D EISAI R&D MAN CO LTD 2011-01-26 CN disclosed
US-20100324324-A1 Compounds and Methods of Arylmethylation (Benzylation) As Protection For Alcohol Groups During Chemical Synthesis DUDLEY GREGORY 2010-12-23 US disclosed
US-20100324323-A1 Compounds and Methods of Arylmethylation (Benzylation) As Protection For Alcohol Groups During Chemical Synthesis DUDLEY GREGORY 2010-12-23 US disclosed
US-7816401-B2 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 US disclosed
US-7754909-B1 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis The Florida State University Research Foundation, Inc. (US) 2010-07-13 US disclosed
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
CN-101282967-A Total synthesis of pladienolide b and pladienolide D EISAI R&D MAN CO LTD (JP) 2008-10-08 CN disclosed
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. 2008-01-24 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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 (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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF KMT2A 3422/4885ALDH1A1 1662/4885THRB 1168/4885
US-20100324323-A1 Compounds and Methods of Arylmethylation (Benzylation) As Protection For Alcohol Groups During Chemical Synthesis ADH1C, ADH1A, CYP2E1 KMT2A 451/4885ALDH1A1 66/4885THRB 1482/4885
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD KMT2A 4159/4885ALDH1A1 2637/4885THRB 1685/4885
US-20100324324-A1 Compounds and Methods of Arylmethylation (Benzylation) As Protection For Alcohol Groups During Chemical Synthesis ADH1C, ADH1A, CYP2E1 KMT2A 451/4885ALDH1A1 66/4885THRB 1482/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD KMT2A 3829/4885ALDH1A1 2011/4885THRB 2535/4885

“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.