SCHEMBL2086629

SCHEMBL2086629

Cc1cccc(C)c1COc1cccc(C(=O)CCCC(=O)NO)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.48
HDAC8 Q9BY41 8/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SMPD1 P17405 2/20 0.44
KMT2A Q03164 1/20 0.44
MMP1 P03956 1/20 0.44

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
SCHEMBL12934380 0.93 MMP1 (0.51) SMPD1MMP1
SCHEMBL956329 0.86 MAOB (0.46) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3448730 0.85 THRA (0.45)
SCHEMBL237393 0.81 HPGD (0.50)
Potassium SCHEMBL2089657 0.80 HPGD (0.49)
SCHEMBL2088037 0.80 HPGD (0.49)
SCHEMBL2089649 0.80 HPGD (0.49)
SCHEMBL2184376 0.80 MAOB (0.45)
SCHEMBL1719411 0.80 MAOB (0.45)
SCHEMBL2088041 0.80 HPGD (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4711621-B2 2011-06-29 JP claimed
US-20050090555-A1 Compound for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2005-04-28 US claimed
US-20040242692-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-02 US claimed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP claimed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US claimed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 WO claimed
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
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 (8 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-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885
US-20040097585-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885
US-20050090555-A1 Compound for the treatment of metabolic disorders GOT2, OAT, GPR119 HDAC1 1050/4885HDAC8 1230/4885HDAC3 626/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B HDAC1 1030/4885HDAC8 1239/4885HDAC3 596/4885

“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.