SCHEMBL562544

SCHEMBL562544

O=C1c2ccccc2-c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.67
MAOB P27338 9/20 0.65
MAOA P21397 8/20 0.65
GSTP1 P09211 2/20 0.57
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
ALOX5 P09917 1/20 0.54
GRM5 P41594 2/20 0.54
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PPARG P37231 2/20 0.51
NSD2 O96028 1/20 0.51
ABL1 P00519 1/20 0.51

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
SCHEMBL24701048 0.93 TOP1 (0.71) TOP1MAOBMAOAGSTP1NPC1
SCHEMBL316203 0.80 MAOB (0.69) TOP1MAOBMAOAGSTP1NPC1
SCHEMBL9627742 0.79 TOP1 (0.57) TOP1MAOBMAOAGSTP1ALOX5
SCHEMBL9628330 0.79 TOP1 (0.65) TOP1MAOBMAOAGSTP1ALDH1A1
SCHEMBL7379163 0.79 MAOA (1.00) TOP1MAOBMAOAGSTP1ALOX5
SCHEMBL3759785 0.79 MAOB (0.74) TOP1MAOBMAOAGSTP1NPC1
SCHEMBL9627734 0.78 TOP1 (0.56) TOP1MAOBMAOAGSTP1ALOX5
SCHEMBL2601920 0.78 NPC1 (0.56) TOP1MAOBMAOAGSTP1NPC1
SCHEMBL17594448 0.78 GSTP1 (0.58) TOP1MAOBMAOAGSTP1NPC1
SCHEMBL14391960 0.78 PPARA (0.54) TOP1MAOBMAOAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
WO-2010123016-A1 CARBOXYLIC ACID COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 TOP1 4823/4885MAOB 3576/4885MAOA 3319/4885

“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.