SCHEMBL6091066

SCHEMBL6091066

CCC(C(=O)O)C1c2cccc(C)c2C(=O)N1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
FFAR1 O14842 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
MDM2 Q00987 2/20 0.31
PARP2 Q9UGN5 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRPA1 O75762 2/20 0.30
PYGL P06737 1/20 0.30
PYGM P11217 1/20 0.30
TYMS P04818 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
SCHEMBL6094362 0.81 FFAR1 (0.44) FFAR1KMT2A
SCHEMBL6092194 0.79 KDM4E (0.37) FFAR1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL4471486 0.77 MEN1 (0.41) PARP1ALDH1A1MDM2PARP2MEN1
SCHEMBL4475021 0.77 MDM2 (0.39) PARP1FFAR1ALDH1A1NOD2NOD1
SCHEMBL6092904 0.76 FFAR1 (0.36) FFAR1ALDH1A1MEN1KMT2AATM
SCHEMBL6095195 0.76 TRPA1 (0.33) TRPA1
SCHEMBL6092919 0.75 MDM2 (0.39) FFAR1MDM2TP53TRPA1
SCHEMBL6092501 0.75 KDM4E (0.36) FFAR1ALDH1A1MEN1KMT2A
SCHEMBL6090274 0.74 KDM4E (0.35) FFAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28746675 0.73 LMNA (0.35) PARP1ALDH1A1NOD2NOD1PARP2

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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 PARP1 2985/4885FFAR1 2288/4885ALDH1A1 243/4885

“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.