SCHEMBL2087536

SCHEMBL2087536

CC(=O)c1ccc(OCC2CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.70
PARP10 Q53GL7 4/20 0.70
PARP2 Q9UGN5 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 1/20 0.58
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
MAOB P27338 3/20 0.51
NR1H4 Q96RI1 1/20 0.50
ACACB O00763 2/20 0.49
MAOA P21397 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
SCHEMBL4117982 0.93 PARP10 (0.71) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL6958286 0.92 PARP10 (0.72) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL17150475 0.89 PARP15 (0.56) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL7733823 0.89 PARP15 (0.66) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL7737448 0.89 PARP10 (0.66) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL10148247 0.86 PARP15 (0.54) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL20067679 0.85 TDP1 (0.58) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL28866432 0.85 L3MBTL1 (0.54) PARP15PARP10PARP2L3MBTL1GAA
Hydrochloric Acid SCHEMBL15538060 0.84 TDP1 (0.61) PARP15PARP10PARP2L3MBTL1GAA
SCHEMBL19405880 0.84 ACACA (0.65) PARP15PARP10PARP2MAPTHPGD

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
WO-2018144900-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-08-09 WO disclosed
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-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 PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20040097585-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20040236100-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B PARP15 3746/4885PARP10 3360/4885PARP2 4132/4885

“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.