SCHEMBL10150833

SCHEMBL10150833

Cc1cc(C)c2c(c1)CC(=O)/C=C/CC/C=C/CCOC2=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
HSP90AB1 P08238 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL12552640 0.82 KIT (0.38) CA1CA9
SCHEMBL10150430 0.81 HSP90AB1 (0.56) F13A1TGM2HSP90AB1
SCHEMBL10150199 0.81 HSP90AB1 (0.56) F13A1TGM2HSP90AB1
SCHEMBL10150367 0.81 HSP90AB1 (0.56) F13A1TGM2HSP90AB1
SCHEMBL10150172 0.77 HSP90AB1 (0.42) F13A1TGM2HSP90AB1
SCHEMBL12552626 0.77 PGR (0.40)
SCHEMBL10150827 0.76 HSP90AB1 (0.46) F13A1TGM2HSP90AB1CA1CA9
SCHEMBL10150182 0.76 HSP90AB1 (0.41) F13A1TGM2HSP90AB1
SCHEMBL10150176 0.76 F13A1 (0.58) F13A1TGM2HSP90AB1CA1CA9
SCHEMBL10150181 0.75 HSP90AB1 (0.41) F13A1TGM2HSP90AB1

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 5 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-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 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.