SCHEMBL2087207

SCHEMBL2087207

CCOC(=O)CC(Br)C(=O)c1cccc(OCc2c(C)cccc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NR4A2 P43354 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1009039 0.80 TDP1 (0.44) MAOBHPGDSMN1; SMN2LMNAMAPT
SCHEMBL1008532 0.80 PTPN1 (0.48) MAOBHPGDSMN1; SMN2LMNAMAPT
SCHEMBL1634331 0.79 TDP1 (0.52) MAOBSMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL1135054 0.79 THRA (0.44) MAOBHPGDSMN1; SMN2LMNAMAPT
SCHEMBL234222 0.78 TDP1 (0.45) MAOBHPGDSMN1; SMN2LMNAMAPT
SCHEMBL5316600 0.77 LMNA (0.49) HPGDSMN1; SMN2LMNAMAPTHTT
SCHEMBL13240400 0.76 KMT2A (0.51) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL2756025 0.75 MAPK1 (0.43) MAOBHPGDSMN1; SMN2LMNAMAPT
SCHEMBL2089757 0.75 CYSLTR2 (0.41) SLC22A12L3MBTL1ALDH1A1
SCHEMBL237290 0.75 MAOB (0.67) MAOBSMN1; SMN2MAOASLC22A12KMT2A

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 41 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
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-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-31 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 (10 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 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20040097585-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20040236100-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885HPGD 381/4885SMN1; SMN2 1792/4885

“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.