SCHEMBL3394032

SCHEMBL3394032

COCOc1ccc(OCOC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
FYN P06241 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 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
SCHEMBL12100424 0.94 CA2 (0.61) CA2CA12CA1CA7CA9
SCHEMBL5784633 0.92 CA12 (0.65) CA2CA12CA1CA7CA9
SCHEMBL8751797 0.92 HDAC8 (0.46) CA2CA12CA1CA7CA9
SCHEMBL16705733 0.84 CA12 (0.65) CA2CA12CA1CA7CA9
SCHEMBL8706961 0.84 PLA2G4B (0.53) MAPTALDH1A1HPGDL3MBTL1LMNA
SCHEMBL27919562 0.82 FYN (0.43) CA2CA12CA1CA7CA9
SCHEMBL23117757 0.82 FYN (0.43) CA2CA12CA1CA7CA9
SCHEMBL16925411 0.82 MAPT (0.48) CA2CA12CA1CA7CA9
SCHEMBL29493390 0.82 MAPT (0.51) CA2CA12CA1CA7CA9
SCHEMBL19617877 0.82 MAPT (0.51) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188306-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2012-05-29 US disclosed
US-8188306-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2012-05-29 US disclosed
US-8188306-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2012-05-29 US disclosed
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2010-04-22 US disclosed
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2010-04-22 US disclosed
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2010-04-22 US disclosed
US-7605288-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2009-10-20 US disclosed
US-7605288-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2009-10-20 US disclosed
US-7605288-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2009-10-20 US disclosed
US-20070197787-A1 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS 2007-08-23 US disclosed
US-20070197787-A1 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS 2007-08-23 US disclosed
US-20070197787-A1 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS 2007-08-23 US disclosed
EP-1790644-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-30 EP disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-7208630-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2007-04-24 US disclosed
US-7208630-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2007-04-24 US disclosed
US-7208630-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2007-04-24 US disclosed
WO-2006047740-A2 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2006-05-04 WO disclosed
US-20060089495-A1 Heat shock protein 90 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 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 (3 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-20060089495-A1 Heat shock protein 90 inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4190/4885CA12 4772/4885CA1 4406/4885
US-20070197787-A1 Heat shock protein 90 inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4190/4885CA12 4772/4885CA1 4406/4885
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB2P, HSPH1, HSP90AA1 CA2 4053/4885CA12 4694/4885CA1 4126/4885

“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.