SCHEMBL10150176

SCHEMBL10150176

O=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.58
TGM2 P21980 1/20 0.58
HSP90AB1 P08238 4/20 0.45
GEMIN4 P57678 1/20 0.41
HSF1 Q00613 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MKNK2 Q9HBH9 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MKNK1 Q9BUB5 3/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34

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
SCHEMBL19418507 0.87 F13A1 (0.45) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL19418059 0.87 F13A1 (0.50) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL17787723 0.87 F13A1 (0.45) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL13770495 0.84 F13A1 (0.45) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL19418471 0.83 F13A1 (0.67) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL19417981 0.83 F13A1 (0.57) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL19418142 0.83 F13A1 (0.57) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL13983581 0.83 F13A1 (0.57) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL10150507 0.80 F13A1 (0.77) F13A1TGM2HSP90AB1GEMIN4HSF1
SCHEMBL10150038 0.80 F13A1 (0.77) F13A1TGM2HSP90AB1GEMIN4HSF1

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 F13A1 3067/4885TGM2 3060/4885HSP90AB1 1/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 F13A1 764/4885TGM2 1861/4885HSP90AB1 4/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P F13A1 3067/4885TGM2 3060/4885HSP90AB1 1/4885

“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.