SCHEMBL10150199

SCHEMBL10150199

Cc1cc(C)c2c(c1)CC(=O)/C=C/CC/C=C/C[C@H](C)OC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.56
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
MKNK2 Q9HBH9 4/20 0.46
FLT3 P36888 6/20 0.40
KIT P10721 6/20 0.40
PDGFRA P16234 6/20 0.40
KDR P35968 6/20 0.40
FLT4 P35916 4/20 0.40
FLT1 P17948 3/20 0.40
PDGFRB P09619 3/20 0.40
MAP2K1 Q02750 3/20 0.40
ALK Q9UM73 2/20 0.37
MAP2K2 P36507 1/20 0.37
MAOA P21397 6/20 0.37
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
CCNA1 P78396 4/20 0.36
PLK4 O00444 2/20 0.36
CDK1 P06493 2/20 0.36

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
SCHEMBL10150367 1.00 HSP90AB1 (0.56) HSP90AB1F13A1TGM2MKNK2FLT3
SCHEMBL10150430 1.00 HSP90AB1 (0.56) HSP90AB1F13A1TGM2MKNK2FLT3
SCHEMBL14293730 0.88 HSP90AB1 (0.62) HSP90AB1F13A1TGM2MKNK2FLT3
SCHEMBL10150172 0.86 HSP90AB1 (0.42) HSP90AB1F13A1TGM2MKNK2
SCHEMBL10150182 0.85 HSP90AB1 (0.41) HSP90AB1F13A1TGM2MKNK2MAOA
SCHEMBL10150877 0.85 MKNK2 (0.47) HSP90AB1F13A1TGM2MKNK2FLT3
SCHEMBL10150175 0.84 HSP90AB1 (0.41) HSP90AB1F13A1TGM2MKNK2MAOB
SCHEMBL10150181 0.84 HSP90AB1 (0.41) HSP90AB1F13A1TGM2MKNK2MAOB
SCHEMBL10150229 0.83 HSP90AB1 (0.42) HSP90AB1F13A1TGM2MKNK2FLT3
SCHEMBL10150257 0.83 HSP90AB1 (0.42) HSP90AB1F13A1TGM2MKNK2FLT3

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

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

“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.