SCHEMBL3759785

SCHEMBL3759785

O=C1Cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.74
MAOA P21397 16/20 0.74
TOP1 P11387 1/20 0.60
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.58
GRM5 P41594 1/20 0.58
RAB9A P51151 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HRH3 Q9Y5N1 1/20 0.56
GSTP1 P09211 1/20 0.55

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
SCHEMBL2314862 0.90 MAOB (0.74) MAOBMAOATOP1NPC1ALDH1A1
SCHEMBL327001 0.88 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL3451690 0.85 MAOB (0.94) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL226640 0.85 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL29308752 0.84 MAOA (0.58) MAOBMAOATOP1HRH3GSTP1
SCHEMBL2939021 0.84 MAOB (0.67) MAOBMAOATOP1NPC1ALDH1A1
SCHEMBL23506817 0.82 MAOB (0.74) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2934677 0.82 MAOB (0.56) MAOBMAOATOP1NPC1ALDH1A1
SCHEMBL2934679 0.82 MAOB (0.56) MAOBMAOATOP1NPC1ALDH1A1
SCHEMBL24701048 0.81 TOP1 (0.71) MAOBMAOATOP1NPC1ALDH1A1

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 7 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
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

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 1014/4885TOP1 3504/4885

“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.