SCHEMBL10150686

SCHEMBL10150686

CCOCOc1cc(OCOCC)c2c(c1Cl)CC(O)/C=C/CC/C=C/C[C@@H](C)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
MKNK2 Q9HBH9 3/20 0.34
MAOA P21397 8/20 0.33
CCNA2 P20248 4/20 0.31
CDK2 P24941 4/20 0.31
CCNA1 P78396 4/20 0.31
PLK4 O00444 2/20 0.31
CDK1 P06493 2/20 0.31
AXL P30530 2/20 0.31
FLT3 P36888 2/20 0.31
CDK5 Q00535 2/20 0.31
PRKCE Q02156 2/20 0.31
MKNK1 Q9BUB5 2/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
MAP3K7 O43318 3/20 0.30

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
SCHEMBL10150687 0.91 HSP90AB1 (0.41) HSP90AB1MKNK2MAOA
SCHEMBL10187334 0.87 HSP90AB1 (0.39) HSP90AB1MKNK2MAOAMKNK1
SCHEMBL868889 0.83 HSP90AB1 (0.59) HSP90AB1MKNK2MAOACCNA2CDK2
SCHEMBL868888 0.83 HSP90AB1 (0.59) HSP90AB1MKNK2MAOACCNA2CDK2
SCHEMBL19418409 0.80 HSP90AB1 (0.52) HSP90AB1MKNK2MAOACCNA2CDK2
SCHEMBL19418047 0.78 HSP90AB1 (0.34) HSP90AB1MKNK2MAOA
SCHEMBL10150573 0.78 HSP90AB1 (0.69) HSP90AB1MKNK2MAOACCNA2CDK2
SCHEMBL19418069 0.76 HSP90AB1 (0.68) HSP90AB1MKNK2MAOACCNA2CDK2
SCHEMBL10150208 0.76 HSP90AB1 (0.48) HSP90AB1MKNK2MAOACCNA2CDK2
SCHEMBL10150088 0.76 HSP90AB1 (0.68) HSP90AB1MKNK2MAOACCNA2CDK2

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 11 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-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
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

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 HSP90AB1 1/4885MKNK2 12/4885MAOA 3967/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 HSP90AB1 4/4885MKNK2 2172/4885MAOA 3279/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885MKNK2 12/4885MAOA 3967/4885

“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.