SCHEMBL1118992

SCHEMBL1118992

COc1ccc(C2(O)Oc3cccc(OC)c3C(=O)C2(OC)OC)c(O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 2/20 0.38
ODC1 P11926 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 1/20 0.33
BACE1 P56817 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA12 O43570 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL27660494 0.68 KDM4E (0.40) CA1CA7CA9CA2MAPT
SCHEMBL2879152 0.66 CA1 (0.42) CA1CA7CA9CA2MAPT
SCHEMBL27660464 0.64 SMN1; SMN2 (0.39) MAPTKDM4ELMNATDP1MEN1
SCHEMBL27567584 0.63 MAPT (0.40) CA1CA7CA9CA2MAPT
SCHEMBL28350683 0.63 KDM4E (0.35) CA1CA7CA9CA2ODC1
SCHEMBL11575259 0.63 HDAC4 (0.60) CA1CA7CA9CA2MAPT
SCHEMBL23655043 0.61 ALDH1A1 (0.48) CA1CA7CA9CA2MAPT
SCHEMBL9146000 0.60 CA1 (0.49) CA1CA7CA9CA2MAPT
SCHEMBL5532838 0.59 NPC1 (0.44) ODC1MAPTKDM4ELMNATDP1
SCHEMBL14482096 0.59 TYMS (0.54) MAPTKDM4ELMNATDP1MEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US claimed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US claimed
EP-2331093-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP claimed
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-26 US claimed
WO-2010025272-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-04 WO claimed
WO-2009105123-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-27 WO claimed
WO-2008103916-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2008-08-28 WO claimed
WO-2000035865-A2 TUBULIN-BINDING AGENTS TULARIK INC. (US) 2000-06-22 WO claimed
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US disclosed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US disclosed
EP-2331093-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP disclosed
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-26 US disclosed
US-20110081325-A1 NOVEL TREATMENT OF HEART DISEASES AXIOGENESIS AG (DE) 2011-04-07 US disclosed
EP-2280710-A2 NOVEL TREATMENT OF HEART DISEASES Axiogenesis Ag (DE) 2011-02-09 EP disclosed
US-20050215764-A1 Biological polymer with differently charged portions TECHNOLOGY INNOVATIONS, LLC 2005-09-29 US disclosed
US-6433187-B1 ANTIMOTOSIS AGENT TULARIK INC. 2002-08-13 US disclosed
US-6433187-B1 ANTIMOTOSIS AGENT TULARIK INC. 2002-08-13 US disclosed
WO-2000035865-A3 TUBULIN-BINDING AGENTS TULARIK INC (US) 2000-10-26 WO disclosed
WO-2000035865-A2 TUBULIN-BINDING AGENTS TULARIK INC. (US) 2000-06-22 WO disclosed
WO-2000035865-A2 TUBULIN-BINDING AGENTS TULARIK INC. (US) 2000-06-22 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 (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-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 CA1 2566/4885CA7 2493/4885CA9 2833/4885
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER BDNF, NGF, NTRK2 CA1 977/4885CA7 3252/4885CA9 3439/4885
US-20050215764-A1 Biological polymer with differently charged portions TUBB3, TUBB1, TUBB CA1 294/4885CA7 504/4885CA9 1057/4885

“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.