SCHEMBL4013173

SCHEMBL4013173

O=C(O)Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.62
MAOB P27338 1/20 0.60
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL9630177 0.87 PARP10 (0.61) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL25197272 0.85 ABCG2 (0.60) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL9430917 0.84 PARP10 (0.58) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8471656 0.84 PARP10 (0.58) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL2354790 0.81 PARP10 (0.75) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL1733690 0.81 PARP10 (0.60) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL1066614 0.80 FFAR1 (0.70) PARP10MAOBCYP1A2ALOX5LMNA
Hydrochloric Acid SCHEMBL3643418 0.80 PARP10 (0.73) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL6445371 0.80 KCNH2 (0.67) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL11996178 0.79 PARP10 (0.63) PARP10MAOBALDH1A1SMN1; SMN2KDM4E

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-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 US disclosed
EP-1366012-A4 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2005-11-02 EP disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 US disclosed
EP-1366012-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-12-03 EP disclosed
WO-2002064094-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-22 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 (2 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-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PARP10 4029/4885MAOB 3822/4885ALDH1A1 650/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PARP10 3854/4885MAOB 3975/4885ALDH1A1 953/4885

“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.