SCHEMBL10150144

SCHEMBL10150144

COc1cc(O)c2c(c1)CC(=O)/C=C/CC/C=C/C[C@@H](C)OC2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.67
KIT P10721 6/20 0.67
PDGFRA P16234 6/20 0.67
FLT4 P35916 5/20 0.67
FLT3 P36888 5/20 0.67
MAP2K1 Q02750 5/20 0.67
PDGFRB P09619 3/20 0.67
FLT1 P17948 3/20 0.67
ALK Q9UM73 2/20 0.67
MAP2K2 P36507 1/20 0.67
HSP90AB1 P08238 1/20 0.62
F13A1 P00488 1/20 0.61
TGM2 P21980 1/20 0.61
MAPK1 P28482 3/20 0.61
MKNK2 Q9HBH9 2/20 0.61
LCK P06239 1/20 0.61
RET P07949 1/20 0.61
TYK2 P29597 1/20 0.61
EPHB4 P54760 1/20 0.61
OPRD1 P41143 1/20 0.56

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
SCHEMBL10150437 0.89 F13A1 (0.77) KDRKITPDGFRAFLT4FLT3
SCHEMBL10150507 0.89 F13A1 (0.77) KDRKITPDGFRAFLT4FLT3
SCHEMBL10150038 0.89 F13A1 (0.77) KDRKITPDGFRAFLT4FLT3
SCHEMBL14293730 0.81 HSP90AB1 (0.62) KDRKITPDGFRAFLT4FLT3
Monocillin Ii Glycoside SCHEMBL30716073 0.80 HSP90AB1 (0.50) KDRKITPDGFRAFLT4FLT3
SCHEMBL15764588 0.80 KDR (1.00) KDRKITPDGFRAFLT4FLT3
SCHEMBL19418488 0.80 HSP90AB1 (0.61) KDRKITPDGFRAFLT4FLT3
SCHEMBL10187433 0.78 HSP90AB1 (0.48) KDRKITPDGFRAFLT4FLT3
SCHEMBL10150265 0.78 MKNK2 (0.57) KDRKITPDGFRAFLT4FLT3
SCHEMBL19418018 0.78 HSP90AB1 (0.48) KDRKITPDGFRAFLT4FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136799-B1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 UNIV STRASBOURG (FR) 2017-10-04 EP disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-8329683-B2 Treatment of neurofibromatosis with radicicol and its derivatives NEXGENIX PHARMACEUTICALS, LLC (US) 2012-12-11 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
WO-2008150302-A1 TREATMENT OF NEUROFIBROMATOSIS WITH RADICICOL AND ITS DERIVATIVES NEXGENIX PHARMACEUTICALS (US) 2008-12-11 WO disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
WO-2008021213-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 WINSSINGER NICOLAS (FR) 2008-02-21 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P KDR 1249/4885KIT 2869/4885PDGFRA 1158/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 KDR 801/4885KIT 4273/4885PDGFRA 900/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P KDR 1249/4885KIT 2869/4885PDGFRA 1158/4885

“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.