SCHEMBL964595

SCHEMBL964595

CC/C(=C\c1c(C)nn(C)c1-n1ccc2ccc(OC(C)CO)cc21)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.35
PIM3 Q86V86 1/20 0.34
GCK P35557 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PHGDH O43175 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
SCHEMBL964596 1.00 ABL1 (0.35) ABL1PIM3GCKMTNR1AMTNR1B
SCHEMBL962381 0.92 PIM3 (0.41) ABL1PIM3MTNR1AMTNR1BPHGDH
SCHEMBL962382 0.92 PIM3 (0.41) ABL1PIM3MTNR1AMTNR1BPHGDH
SCHEMBL966603 0.91 ABL1 (0.37) ABL1PIM3GCKMTNR1AMTNR1B
SCHEMBL966600 0.91 ABL1 (0.37) ABL1PIM3GCKMTNR1AMTNR1B
SCHEMBL963543 0.88 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL963542 0.88 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL966845 0.87 MAPT (0.38) ABL1MTNR1AMTNR1B
SCHEMBL966843 0.87 MAPT (0.38) ABL1MTNR1AMTNR1B
SCHEMBL965490 0.86 PIM3 (0.32) PIM3PHGDH

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 ABL1 4132/4885PIM3 3705/4885GCK 739/4885

“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.