SCHEMBL2420501

SCHEMBL2420501

[O]COc1ccc2ccccc2c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
CTSD P07339 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CXCR5 P32302 1/20 0.44
NCEH1 Q6PIU2 2/20 0.43
WDR5 P61964 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
LDHA P00338 1/20 0.42

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
SCHEMBL5404802 0.88 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL10935027 0.88 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL4799007 0.87 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL30393029 0.85 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL503962 0.85 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL6562825 0.85 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL4345297 0.84 NPC1 (0.60) ALDH1A1HPGDHSD17B10KDM4EMEN1
Hydrochloric Acid SCHEMBL1037379 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4ECTSDRAB9A
SCHEMBL8484523 0.84 IDO1 (0.49) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL27357244 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947351-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF Board of Regents, The University of Texas System (US) 2022-02-09 EP disclosed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 WO disclosed
WO-2018195263-A1 METHODS FOR THE TREATMENT OF CANCER METASTASIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 WO disclosed
EP-3271017-A1 TREATMENT OF SKIN CONDITIONS Monash University (AU) 2018-01-24 EP disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 WO disclosed
WO-2017165170-A1 ELECTRON WITHDRAWING GROUP SUBSTITUTED AND MACROCYCLIC PGJ3 ANALOGS AND METHODS OF TREATMENT THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2017-09-28 WO disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US disclosed
EP-3169683-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2017-05-24 EP disclosed
WO-2017044592-A1 CONJUGATED ANTICANCER SMAC ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 WO disclosed
WO-2012083306-A2 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
WO-2011130302-A2 METHOD OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011124986-A2 POLYOL MODIFIED AMINOGLYCOSIDE-LIPID CONJUGATES UNIVERSITY OF MANITOBA (CA) 2011-10-13 WO disclosed
WO-2011115819-A2 SMALL MOLECULE INHIBITORS OF MUC1 AND METHODS OF IDENTIFYING THE SAME GENUS ONCOLOGY, LLC (US) 2011-09-22 WO disclosed
CN-101878217-A Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2010-11-03 CN disclosed
US-7132414-B2 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2006-11-07 US disclosed
US-20040157823-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2004-08-12 US disclosed
US-6734176-B2 ARE CB1-RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT AND PREVENTION OF DISORDERS AFFECTING THE CENTRAL NERVOUS, IMMUNE, CARDIOVASCULAR OR ENDOCRINE, RESPIRATORY, GASTROINTESTINAL AND REPRODUCTIVE SYSTEMS; DRUG ABUSE AVENTIS PHARMA S.A. (FR) 2004-05-11 US disclosed
US-20030119810-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2003-06-26 US disclosed
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2002-02-14 US 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 (4 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ALDH1A1 2647/4885HPGD 3089/4885HSD17B10 3941/4885
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation HRH2, ALK, HRH1 ALDH1A1 1211/4885HPGD 499/4885HSD17B10 1357/4885
US-20040157823-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation ALK, HRH2, HRH1 ALDH1A1 1049/4885HPGD 429/4885HSD17B10 1217/4885
US-20030119810-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation ALK, HRH2, HRH1 ALDH1A1 1049/4885HPGD 429/4885HSD17B10 1217/4885

“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.