SCHEMBL965366

SCHEMBL965366

CC/C(=C\c1c(C)nn(C)c1-n1cc(C)c2cccnc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
TBXAS1 P24557 2/20 0.33
ELANE P08246 3/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
PTGDR2 Q9Y5Y4 5/20 0.32
HTR6 P50406 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FEN1 P39748 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PDE4A P27815 1/20 0.31
KCNH2 Q12809 1/20 0.31
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL965368 1.00 L3MBTL1 (0.34) L3MBTL1TBXAS1ELANETRPM5PTGDR2
SCHEMBL962825 0.90 ELANE (0.37) L3MBTL1TBXAS1ELANEPTGDR2KDM5A
SCHEMBL962824 0.90 ELANE (0.37) L3MBTL1TBXAS1ELANEPTGDR2KDM5A
SCHEMBL962301 0.83 PARP1 (0.38) L3MBTL1TBXAS1NPC1ALDH1A1RAB9A
SCHEMBL962302 0.83 PARP1 (0.38) L3MBTL1TBXAS1NPC1ALDH1A1RAB9A
SCHEMBL964338 0.81 ALDH1A1 (0.46) L3MBTL1TRPM5PTGDR2NPC1ALDH1A1
SCHEMBL964336 0.81 ALDH1A1 (0.46) L3MBTL1TRPM5PTGDR2NPC1ALDH1A1
SCHEMBL962686 0.81 HTT (0.37) L3MBTL1TRPM5HTR6NPC1ALDH1A1
SCHEMBL965365 0.79 NPC1 (0.36) ELANETRPM5NPC1ALDH1A1RAB9A
SCHEMBL964008 0.77 ALDH1A1 (0.34) L3MBTL1NPC1ALDH1A1RAB9ASMN1; SMN2

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 L3MBTL1 3858/4885TBXAS1 1574/4885ELANE 3595/4885

“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.