SCHEMBL962734

SCHEMBL962734

CC/C(=C\c1c(C)nn(C)c1-n1ccc2cc(C)ccc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
FABP4 P15090 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
RXFP1 Q9HBX9 3/20 0.33
TP53 P04637 2/20 0.33
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
MAOB P27338 1/20 0.32
TFPI2 P48307 1/20 0.31
POLB P06746 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMO O15229 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
SCHEMBL962735 1.00 ROCK1 (0.34) ROCK1FABP4MEN1KMT2AL3MBTL1
SCHEMBL966083 0.90 MAPT (0.36) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL966082 0.90 MAPT (0.36) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL963205 0.87 PHGDH (0.36) KMT2ALMNAMAPTRXFP1TP53
SCHEMBL963207 0.87 PHGDH (0.36) KMT2ALMNAMAPTRXFP1TP53
SCHEMBL965363 0.87 FFAR4 (0.38) MAPTALDH1A1
SCHEMBL965362 0.87 FFAR4 (0.38) MAPTALDH1A1
SCHEMBL962556 0.87 HTR2A (0.32)
SCHEMBL962558 0.87 HTR2A (0.32)
SCHEMBL963260 0.84 TBXAS1 (0.36) HSP90AA1RAPGEF4

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 ROCK1 3736/4885FABP4 30/4885MEN1 4766/4885

“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.