SCHEMBL10150508

SCHEMBL10150508

Cc1cc(C)c2c(c1C)CC(=O)/C=C/CC/C=C/CC(c1ccccc1)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.43
ABCG2 Q9UNQ0 3/20 0.33
POLB P06746 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ABCB1 P08183 2/20 0.33
CYP19A1 P11511 1/20 0.32
MAOB P27338 4/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
MAOA P21397 2/20 0.31
MKNK2 Q9HBH9 1/20 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
SCHEMBL10150158 0.89 HSP90AB1 (0.51) HSP90AB1ABCG2POLBCRHBPCRHR2
SCHEMBL10150161 0.89 HSP90AB1 (0.51) HSP90AB1ABCG2POLBCRHBPCRHR2
SCHEMBL10150458 0.83 HSP90AB1 (0.60) HSP90AB1MAOBF13A1TGM2MAOA
SCHEMBL10150175 0.83 HSP90AB1 (0.41) HSP90AB1ABCG2POLBCRHBPCRHR2
SCHEMBL10150181 0.83 HSP90AB1 (0.41) HSP90AB1ABCG2POLBCRHBPCRHR2
SCHEMBL10150021 0.77 HSP90AB1 (0.70) HSP90AB1CYP19A1F13A1TGM2MKNK2
SCHEMBL10150018 0.77 HSP90AB1 (0.70) HSP90AB1CYP19A1F13A1TGM2MKNK2
SCHEMBL10150138 0.77 HSP90AB1 (0.48) HSP90AB1ABCG2POLBCRHBPCRHR2
SCHEMBL19418453 0.74 F13A1 (0.57) HSP90AB1ABCG2CYP19A1F13A1TGM2
SCHEMBL10150026 0.74 F13A1 (0.57) HSP90AB1ABCG2CYP19A1F13A1TGM2

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 4 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-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 (2 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 1/4885ABCG2 1124/4885POLB 1765/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885ABCG2 1124/4885POLB 1765/4885

“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.