SCHEMBL1650809

SCHEMBL1650809

O=C(O)Cc1occ2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1B1 P15121 4/20 0.42
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL10370767 0.87 KDM4E (0.41) KDM4ETDP1ALDH1A1HPGDGLA
SCHEMBL1260300 0.84 KDM4E (0.39) KDM4ETDP1ALDH1A1HPGDGLA
SCHEMBL3147406 0.84 KDM4E (0.39) KDM4ETDP1ALDH1A1HPGDGLA
SCHEMBL11116972 0.84 KDM4E (0.39) KDM4ETDP1ALDH1A1HPGDGLA
SCHEMBL28834516 0.84 KDM4E (0.39) KDM4ETDP1ALDH1A1HPGDGLA
SCHEMBL7859850 0.82 KEAP1 (0.46) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL23804836 0.80 CYP1A2 (0.51) KDM4EALDH1A1MEN1KMT2A
SCHEMBL7022984 0.80 SMN1; SMN2 (0.46) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL12474263 0.77 LCK (0.44) ALDH1A1HPGDGLAAKR1B1LMNA
SCHEMBL9935525 0.76 TDP1 (0.35) KDM4ETDP1ALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939748-A Method for preparing deuterated compound through decarboxylation and deuteration of carboxylic acid 中国科学院大连化学物理研究所 2021-06-11 CN claimed
CN-112939748-B Method for preparing deuterated compound through decarboxylation and deuteration of carboxylic acid 中国科学院大连化学物理研究所 2022-11-01 CN disclosed
CN-112939748-A Method for preparing deuterated compound through decarboxylation and deuteration of carboxylic acid 中国科学院大连化学物理研究所 2021-06-11 CN disclosed
US-20140309296-A1 BUDIODARONE FORMULATIONS ARMETHEON, INC. (US) 2014-10-16 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
CN-1205198-C Cyclic ketone derivative and pharmaceutical use thereof TORAY INDUSTRIES (JP) 2005-06-08 CN disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
EP-0962456-A1 CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-12-08 EP disclosed
US-5849788-A Compound for treatment of cardiac arphythmia, synthesis, and methods of use ARYX THERAPEUTICS (US) 1998-12-15 US disclosed
EP-0703910-B1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ARYX THERAPEUTICS (US) 1998-01-07 EP disclosed
EP-0703910-A1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA Advanced Therapies, Inc. (US) 1996-04-03 EP disclosed
US-5440054-A Compound for treatment of cardiac arrhythmia, synthesis, and methods of use ADVANCED THERAPIES, INC. (US) 1995-08-08 US disclosed
WO-1994029289-A1 BENZOYLBENZOFURANE DERIVATIVES FOR TREATMENT OF CARDIAC ARRHYTHMIA ADVANCED THERAPIES, INC. (US) 1994-12-22 WO disclosed
US-5364880-A Compound for treatment of cardiac arrhythmia, synthesis, and methods of use ADVANCED THERAPIES, INC. (US) 1994-11-15 US disclosed
EP-0048954-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND INTERMEDIATE PRODUCTS FOR THE PREPARATION THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP disclosed
US-4460594-A CENTRAL NERVOUS SYSTEM DISORDERS BEECHAM GROUP P.L.C. (GB) 1984-07-17 US disclosed
EP-0077607-A1 N-substituted 3-aryl piperidines and derivatives thereof BEECHAM GROUP PLC (GB) 1983-04-27 EP 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 (2 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-20140309296-A1 BUDIODARONE FORMULATIONS ADH1A, ADH1C, CYP4B1 KDM4E 2547/4885TDP1 2598/4885ALDH1A1 39/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R KDM4E 2751/4885TDP1 2952/4885ALDH1A1 716/4885

“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.