SCHEMBL31369914

SCHEMBL31369914

COc1ccc(CC[C@@H](C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 2/20 0.41
FABP5 Q01469 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5 P09917 1/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
KMT2A Q03164 1/20 0.38
FABP7 O15540 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LDHA P00338 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL29633922 1.00 MDM2 (0.43) MDM2ALDH1A1FABP5FFAR1FFAR4
SCHEMBL31688613 0.94 MDM2 (0.44) MDM2ALDH1A1FABP5FFAR1FFAR4
SCHEMBL30792879 0.92 FABP5 (0.41) FABP5KMT2AFABP7
SCHEMBL21837958 0.92 FABP5 (0.41) FABP5KMT2AFABP7
SCHEMBL21837960 0.92 FABP5 (0.41) FABP5KMT2AFABP7
SCHEMBL30889958 0.92 FABP5 (0.41) FABP5KMT2AFABP7
SCHEMBL31369529 0.91 FABP5 (0.40) MDM2FABP5KMT2AFABP7
SCHEMBL29633752 0.90 PPARA (0.37) FABP5FFAR1PPARGPPARAFABP7
SCHEMBL25358372 0.90 ITGB3 (0.45) MDM2FABP5PPARGPPARAFABP7
SCHEMBL6318711 0.90 ITGB3 (0.45) MDM2FABP5PPARGPPARAFABP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MDM2 2036/4885ALDH1A1 4472/4885FABP5 424/4885

“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.