SCHEMBL796288

SCHEMBL796288

O=C(Oc1cccc(C(=O)O)c1O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.59
ESR2 Q92731 2/20 0.59
SLC6A3 Q01959 1/20 0.58
HSD17B10 Q99714 7/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.57
MEN1 O00255 1/20 0.57
JAK2 O60674 1/20 0.57
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SERPINE1 P05121 1/20 0.50

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
SCHEMBL5391019 0.86 SLC6A3 (0.51) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL30505635 0.85 SLC6A3 (0.71) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL1979275 0.85 SLC6A3 (0.71) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL1058373 0.85 SLC6A3 (0.77) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL844563 0.84 ESR1 (0.72) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL8777320 0.84 SLC6A3 (0.69) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL11777918 0.83 SLC6A3 (0.58) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL28263594 0.82 HSD17B10 (0.72) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL11280439 0.82 KDM4E (0.68) ESR1ESR2SLC6A3HSD17B10KMT2A
SCHEMBL10499871 0.81 SLC6A3 (0.57) ESR1ESR2SLC6A3HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601251-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2014-11-12 EP disclosed
US-8481595-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2013-07-09 US disclosed
US-8481595-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2013-07-09 US disclosed
US-8178675-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2012-05-15 US disclosed
US-8178675-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2012-05-15 US disclosed
US-20120071526-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2012-03-22 US disclosed
US-20120071526-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2012-03-22 US disclosed
EP-1988772-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2011-10-26 EP disclosed
US-8022249-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-09-20 US disclosed
US-8022249-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-09-20 US disclosed
US-20070173544-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2007-07-26 US disclosed
US-20070173544-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2007-07-26 US disclosed
US-20070105955-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2007-05-10 US disclosed
US-20070105955-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2007-05-10 US disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
EP-0207913-B1 CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1990-10-31 EP disclosed
EP-0207913-A1 Catechol carboxamides, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1987-01-07 EP disclosed
WO-1986007591-A1 CATECHOLCARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1986-12-31 WO disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 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 (3 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-20070173544-A1 Compounds for the treatment of metabolic disorders CPT1B, GPR119, CPT1A ESR1 2033/4885ESR2 1023/4885SLC6A3 1497/4885
US-20070105955-A1 Compounds for the treatment of metabolic disorders CPT1B, FABP1, CPT1A ESR1 2486/4885ESR2 1052/4885SLC6A3 1616/4885
US-20120071526-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, CPT1A, FABP1 ESR1 1509/4885ESR2 610/4885SLC6A3 2249/4885

“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.