SCHEMBL10150849

SCHEMBL10150849

Cc1cc(C)c2c(c1Cl)CC(C)/C=C/CC/C=C/C[C@@H](C)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.47
MAOA P21397 13/20 0.40
MKNK2 Q9HBH9 3/20 0.38
MAOB P27338 3/20 0.34
POLL Q9UGP5 1/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
PLK4 O00444 2/20 0.33
CDK1 P06493 2/20 0.33
AXL P30530 2/20 0.33
FLT3 P36888 2/20 0.33
CDK5 Q00535 2/20 0.33
PRKCE Q02156 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10150208 0.89 HSP90AB1 (0.48) HSP90AB1MAOAMKNK2MAOBCCNA2
SCHEMBL10150206 0.83 HSP90AB1 (0.44) HSP90AB1MAOAMKNK2MAOBMKNK1
SCHEMBL10150178 0.81 HSP90AB1 (0.71) HSP90AB1MAOAMKNK2CCNA2CDK2
SCHEMBL10150157 0.81 HSP90AB1 (0.71) HSP90AB1MAOAMKNK2CCNA2CDK2
SCHEMBL10150204 0.80 MKNK2 (0.45) HSP90AB1MAOAMKNK2MAOBCCNA2
SCHEMBL10150190 0.78 HSP90AB1 (0.54) HSP90AB1MAOAMKNK2MAOBCCNA2
SCHEMBL10150201 0.77 HSP90AB1 (0.48) HSP90AB1MAOAMKNK2FLT3MKNK1
SCHEMBL14155862 0.76 MKNK2 (0.41) HSP90AB1MAOAMKNK2FLT3MKNK1
SCHEMBL10150687 0.75 HSP90AB1 (0.41) HSP90AB1MAOAMKNK2POLL
SCHEMBL10150088 0.73 HSP90AB1 (0.68) HSP90AB1MAOAMKNK2MAOBCCNA2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885MAOA 3967/4885MKNK2 12/4885

“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.