SCHEMBL2701032

SCHEMBL2701032

CN(C)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 2/20 0.48
SLC16A3 O15427 1/20 0.47
KDM2B Q8NHM5 1/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
CYP26A1 O43174 1/20 0.44
RARA P10276 1/20 0.44
CYP26B1 Q9NR63 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
SCHEMBL29717125 1.00 KDM4E (0.55) KDM4ENPC1MEN1KMT2APOLB
SCHEMBL18288087 0.94 NPC1 (0.51) KDM4ENPC1MEN1KMT2APOLB
SCHEMBL7558044 0.90 HPGD (0.58) KDM4ENPC1MEN1KMT2APOLB
SCHEMBL30898565 0.85 MAPT (0.53) KDM4ENPC1MEN1KMT2APOLB
SCHEMBL34895 0.85 MAPT (0.53) KDM4ENPC1MEN1KMT2APOLB
SCHEMBL28040989 0.83 HPGD (0.48) KDM4ENPC1MEN1KMT2APOLB
SCHEMBL30504311 0.83 LCK (0.56) KDM4ENPC1ALDH1A1HPGDMAPT
Methyl Alcohol SCHEMBL7181550 0.81 KDM4E (0.69) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL18758 0.81 KDM4E (0.68) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL6916181 0.81 KDM4E (0.68) KDM4EMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
CN-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 WO disclosed
EP-3081987-B1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION USING NOVEL ONIUM SALT AND RESIST PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2018-06-06 EP disclosed
US-9740098-B2 Chemically amplified negative resist composition using novel onium salt and resist pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-22 US disclosed
US-9740098-B2 Chemically amplified negative resist composition using novel onium salt and resist pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-22 US disclosed
US-9720323-B2 Chemically amplified positive resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-01 US disclosed
US-9720323-B2 Chemically amplified positive resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-01 US disclosed
US-9665002-B2 Onium salt compound, resist composition, and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-30 US disclosed
WO-2012061390-A2 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-10 WO disclosed
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE VALLEE BERT L 2007-11-22 US disclosed
EP-1077697-B1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2006-07-19 EP disclosed
EP-1645272-A2 Daidzin derivatives for the treatment of alcohol dependence or alcohol abuse THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2006-04-12 EP disclosed
EP-1077697-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2001-02-28 EP disclosed
US-6121010-A SCREENING FOR COMPOUNDS WHICH REDUCE ALCOHOL (ETHANOL) CONSUMPTION BY DETERMINING EFFECTIVENESS FOR INHIBITING ALDEHYDE DEHYDROGENASE ACTIVITY ON ALDEHYDES DERIVED FROM SUBSTRATES OF MONOAMINE OXIDASE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 2000-09-19 US disclosed
WO-1999058124-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-11-18 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 (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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 KDM4E 2592/4885NPC1 539/4885MEN1 2261/4885
US-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ADH1A, ADH5, ADH1C KDM4E 4474/4885NPC1 2189/4885MEN1 4162/4885
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 KDM4E 2480/4885NPC1 853/4885MEN1 2371/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 KDM4E 137/4885NPC1 4606/4885MEN1 2933/4885

“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.