SCHEMBL68928

SCHEMBL68928

COc1c(O)cc(C)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
APEX1 P27695 2/20 0.54
RECQL P46063 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
MPI P34949 1/20 0.54
ACHE P22303 2/20 0.52
SELL P14151 1/20 0.52
SELP P16109 1/20 0.52
SELE P16581 1/20 0.52
PTPN1 P18031 2/20 0.48
PIM1 P11309 1/20 0.46
CYP3A4 P08684 2/20 0.44
TPMT P51580 4/20 0.42
TRPA1 O75762 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL31090180 0.87 PTPN1 (0.53) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL658125 0.87 PTPN1 (0.53) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL8084791 0.87 TDP1 (0.52) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL29421895 0.85 ACHE (0.70) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL1427958 0.85 ACHE (0.70) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL11974268 0.80 LMNA (0.48) TDP1MAPTALDH1A1KDM4EAPEX1
Iretol SCHEMBL3190103 0.80 TDP1 (1.00) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL28064053 0.79 ERN1 (0.58) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL19034740 0.79 ACHE (0.59) TDP1MAPTALDH1A1KDM4EAPEX1
SCHEMBL4646583 0.78 TDP1 (0.75) TDP1MAPTALDH1A1KDM4EKMT2A

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
EP-2730565-B1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-04-26 EP disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
US-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2015-03-12 US disclosed
EP-2730565-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2014-05-14 EP disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-8563603-B2 Polycyclic compounds and methods related thereto CORNELL UNIVERSITY (US) 2013-10-22 US disclosed
WO-2013004075-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE 南京圣和药业有限公司 (CN) 2013-01-10 WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 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-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO TDP1 1420/4885MAPT 3462/4885ALDH1A1 1263/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TDP1 3534/4885MAPT 1923/4885ALDH1A1 1882/4885
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO TDP1 1074/4885MAPT 3680/4885ALDH1A1 842/4885
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A TDP1 1914/4885MAPT 162/4885ALDH1A1 3038/4885

“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.