SCHEMBL965490

SCHEMBL965490

CCC(=Cc1c(C)nn(C)c1-n1ccc2ccc(OC(C)C(=O)OC(C)(C)C)cc21)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PHGDH O43175 1/20 0.30
MCL1 Q07820 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
SCHEMBL965489 1.00 PIM3 (0.32) PIM3POLBSMN1; SMN2PHGDHMCL1
SCHEMBL962381 0.88 PIM3 (0.41) PIM3PHGDHMCL1
SCHEMBL962382 0.88 PIM3 (0.41) PIM3PHGDHMCL1
SCHEMBL964596 0.86 ABL1 (0.35) PIM3PHGDH
SCHEMBL964595 0.86 ABL1 (0.35) PIM3PHGDH
SCHEMBL4553102 0.85 ALDH1A1 (0.37) PIM3SMN1; SMN2MCL1
SCHEMBL4553100 0.85 ALDH1A1 (0.37) PIM3SMN1; SMN2MCL1
SCHEMBL965488 0.85 POLB (0.34) PIM3POLBSMN1; SMN2PHGDH
SCHEMBL963542 0.84 MTNR1A (0.41) POLBMCL1
SCHEMBL963543 0.84 MTNR1A (0.41) POLBMCL1

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PIM3 3705/4885POLB 1580/4885SMN1; SMN2 4710/4885

“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.