SCHEMBL2087585

SCHEMBL2087585

COc1cccc(OC)c1COc1cccc(C(C)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.62
MAOA P21397 4/20 0.58
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL2088558 0.82 HPGD (0.49) MAOBALDH1A1L3MBTL1
SCHEMBL237290 0.82 MAOB (0.67) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL1437471 0.81 MAOB (0.68) MAOBMAOANPC1RAB9A
SCHEMBL2088184 0.81 MAOB (0.68) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL2088207 0.79 CTNNB1 (0.46) ALDH1A1MAPTL3MBTL1
SCHEMBL5974513 0.77 MAOB (0.68) MAOBMAOAALDH1A1KMT2AMEN1
SCHEMBL955388 0.77 SLC22A12 (0.51) MAOBALDH1A1GAA
SCHEMBL52445 0.77 CES2 (0.74) MAOBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29589944 0.77 CES2 (0.74) MAOBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28126653 0.77 CES2 (0.74) MAOBALDH1A1KMT2AMEN1L3MBTL1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133073-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2015-09-15 US disclosed
US-8604083-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-10 US disclosed
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-24 US disclosed
EP-1461323-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-09 EP disclosed
US-8552062-B2 Methods for the treatment of metabolic disorders such as diabetes WELLSTAT THERAPEUTICS CORPORATION (US) 2013-10-08 US disclosed
US-8487000-B2 4-(3-(2,6-Dimethoxybenzyloxy)phenyl)-4-oxobutyric acid or derivatives for treatment of insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis or arteriosclerosis Wellstat Therapertics Corporation (US) 2013-07-16 US disclosed
US-7863475-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-01-04 US disclosed
US-7851494-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2010-12-14 US disclosed
US-7547802-B2 5-[3-(2,6-Dimethylbenzyloxy)-phenyl]-pent-4-enoic acid ethyl ester; insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis, arteriosclerosis; side effects reduction; orally active WELLSTAT THERAPEUTICS CORPORATION (US) 2009-06-16 US disclosed
US-7329782-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2008-02-12 US disclosed
US-20040267025-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-30 US disclosed
US-20040242692-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-02 US disclosed
US-20040236100-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-11-25 US disclosed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP disclosed
US-20040097585-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-05-20 US disclosed
US-20040092516-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040092518-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040077896-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-04-22 US disclosed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US disclosed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 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 (9 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-20040267025-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20040097585-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20040236100-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MAOA 1265/4885ALDH1A1 1035/4885

“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.