SCHEMBL13047892

SCHEMBL13047892

COC(=O)/C=C1\Cc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.49
MAOA P21397 6/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ACACB O00763 1/20 0.44
TOP1 P11387 1/20 0.44
FFAR1 O14842 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NR4A2 P43354 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL13048353 0.93 MAOB (0.49) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL13048371 0.93 MAOB (0.49) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL3410834 0.89 MAOB (0.53) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL3410838 0.89 MAOB (0.53) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL13424247 0.88 PPARG (0.48) MAOBMAOAHRH3TOP1ALDH1A1
SCHEMBL12442499 0.88 PPARG (0.48) MAOBMAOAHRH3TOP1ALDH1A1
SCHEMBL3745062 0.88 MAOB (0.53) MAOBMAOAHRH3TOP1FFAR1
SCHEMBL3745060 0.88 MAOB (0.53) MAOBMAOAHRH3TOP1FFAR1
SCHEMBL3404627 0.82 MAOB (0.53) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL3404626 0.82 MAOB (0.53) MAOBMAOANPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO 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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS MAOB 926/4885MAOA 1014/4885NPC1 707/4885

“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.