SCHEMBL962381

SCHEMBL962381

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.41
BRD4 O60885 2/20 0.34
BRPF1 P55201 1/20 0.34
ACACB O00763 2/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PHGDH O43175 1/20 0.32
FGFR1 P11362 1/20 0.31
ABL1 P00519 1/20 0.31
NR3C1 P04150 1/20 0.31
MCL1 Q07820 1/20 0.31
TP53 P04637 2/20 0.31
RORC P51449 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CCR2 P41597 1/20 0.30
CCR5 P51681 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
SCHEMBL962382 1.00 PIM3 (0.41) PIM3BRD4BRPF1ACACBMTNR1A
SCHEMBL964596 0.92 ABL1 (0.35) PIM3MTNR1AMTNR1BPHGDHABL1
SCHEMBL964595 0.92 ABL1 (0.35) PIM3MTNR1AMTNR1BPHGDHABL1
SCHEMBL963542 0.91 MTNR1A (0.41) MTNR1AMTNR1BMCL1
SCHEMBL963543 0.91 MTNR1A (0.41) MTNR1AMTNR1BMCL1
SCHEMBL966600 0.90 ABL1 (0.37) PIM3MTNR1AMTNR1BABL1MCL1
SCHEMBL966603 0.90 ABL1 (0.37) PIM3MTNR1AMTNR1BABL1MCL1
SCHEMBL966843 0.90 MAPT (0.38) ACACBMTNR1AMTNR1BABL1MCL1
SCHEMBL966845 0.90 MAPT (0.38) ACACBMTNR1AMTNR1BABL1MCL1
SCHEMBL965490 0.88 PIM3 (0.32) PIM3PHGDHMCL1

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 3705/4885BRD4 193/4885BRPF1 907/4885

“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.