SCHEMBL10150880

SCHEMBL10150880

Cc1ccc(CON=C2/C=C/CC/C=C/CC(C)OC(=O)c3c(O)cc(O)cc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 5/20 0.49
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
HSP90AB1 P08238 3/20 0.46
MKNK1 Q9BUB5 3/20 0.42
FLT3 P36888 6/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
PLK4 O00444 2/20 0.41
CDK1 P06493 2/20 0.41
AXL P30530 2/20 0.41
CDK5 Q00535 2/20 0.41
PRKCE Q02156 2/20 0.41
KIT P10721 4/20 0.40
PDGFRA P16234 4/20 0.40
FLT4 P35916 4/20 0.40
KDR P35968 4/20 0.40
PDGFRB P09619 3/20 0.40
MAP2K1 Q02750 3/20 0.40

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
SCHEMBL10150262 0.93 MKNK2 (0.51) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150278 0.89 MKNK2 (0.46) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150879 0.88 MKNK2 (0.38) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150265 0.84 MKNK2 (0.57) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL14293556 0.84 MKNK2 (0.51) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150272 0.84 MKNK2 (0.51) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150219 0.83 MKNK2 (0.50) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150274 0.83 MKNK2 (0.50) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150310 0.83 F13A1 (0.40) MKNK2F13A1TGM2HSP90AB1MKNK1
SCHEMBL10150320 0.82 F13A1 (0.39) MKNK2F13A1TGM2HSP90AB1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MKNK2 12/4885F13A1 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.