SCHEMBL3404626

SCHEMBL3404626

COC(=O)/C=C1\CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.53
MAOA P21397 6/20 0.53
HRH3 Q9Y5N1 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MIF P14174 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TOP1 P11387 1/20 0.43
NFKB1 P19838 1/20 0.43
GRM5 P41594 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL3404627 1.00 MAOB (0.53) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL3410838 0.91 MAOB (0.53) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL3410834 0.91 MAOB (0.53) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL13048353 0.89 MAOB (0.49) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL13048371 0.89 MAOB (0.49) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL3966174 0.89 MAOB (0.51) MAOBMAOAHRH3ALDH1A1S1PR1
SCHEMBL3966171 0.89 MAOB (0.51) MAOBMAOAHRH3ALDH1A1S1PR1
SCHEMBL3450181 0.88 MAOB (0.57) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL3450180 0.88 MAOB (0.57) MAOBMAOAHRH3SMN1; SMN2NPC1
SCHEMBL13047892 0.82 MAOB (0.49) MAOBMAOAHRH3SMN1; SMN2NPC1

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 9 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-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP 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
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
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 1014/4885HRH3 2311/4885

“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.