SCHEMBL10121174

SCHEMBL10121174

CC(C)C(=O)c1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
DBH P09172 1/20 0.62
GAA P10253 1/20 0.62
RECQL P46063 1/20 0.62
ELANE P08246 1/20 0.43
GSK3B P49841 2/20 0.42
FFAR1 O14842 1/20 0.42
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL12418688 0.92 KDM4E (0.56) KDM4EDBHGAARECQLALDH1A1
SCHEMBL10941943 0.92 KDM4E (0.56) KDM4EDBHGAARECQLELANE
SCHEMBL1878288 0.89 TSHR (0.60) KDM4EDBHGAARECQLTP53
SCHEMBL9340081 0.89 GAA (0.54) KDM4EDBHGAARECQLALDH1A1
SCHEMBL585256 0.89 ALDH1A1 (0.56) KDM4EDBHGAARECQLGSK3B
SCHEMBL4378592 0.89 KDM4E (0.59) KDM4EDBHGAARECQLLMNA
SCHEMBL24932160 0.87 KDM4E (0.52) KDM4EDBHGAARECQLELANE
SCHEMBL204960 0.87 CES2 (0.54) KDM4EDBHGAARECQLALDH1A1
SCHEMBL4875754 0.87 PARP10 (0.55) KDM4EDBHGAARECQLTSHR
SCHEMBL2625462 0.87 CES2 (0.54) KDM4EDBHGAARECQLGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230332350-A1 DOUBLE BRAID ROPE STRUCTURE KURARAY CO., LTD. (JP) 2023-10-19 US disclosed
US-11713344-B2 Acylated oxyntomodulin peptide analog DONG-A ST CO., LTD. (KR) 2023-08-01 US disclosed
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-20220315737-A1 MIXED ESTER TEREPHTHALATE COMPOSITIONS USEFUL AS PLASTICIZERS EASTMAN CHEMICAL COMPANY (US) 2022-10-06 US disclosed
US-20220167976-A1 SMALL DIAMETER FIBER BRAID WITH CENTRAL CORE MEMBER KURARAY CO., LTD. (JP) 2022-06-02 US disclosed
WO-2022115719-A1 PD-L1 BINDING PEPTIDES AND PEPTIDE COMPLEXES AND METHODS OF USE THEREOF FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-06-02 WO disclosed
US-11236142-B2 Acylated oxyntomodulin peptide analog DONG-A ST CO., LTD. (KR) 2022-02-01 US disclosed
US-10953076-B2 Insulin receptor partial agonists and GLP-1 analogues MERCK SHARP & DOHME CORP. (US) 2021-03-23 US disclosed
EP-3789426-A1 POLYARYLETHER KETONE IMIDE SULFONE ADHESIVES The Boeing Company (US) 2021-03-10 EP disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 US disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-08-12 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 (13 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 KDM4E 1873/4885DBH 559/4885GAA 2291/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KDM4E 553/4885DBH 2685/4885GAA 179/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885DBH 3306/4885GAA 285/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KDM4E 553/4885DBH 2685/4885GAA 179/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KDM4E 571/4885DBH 1713/4885GAA 433/4885
US-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 KDM4E 4223/4885DBH 4079/4885GAA 2614/4885
US-11713344-B2 Acylated oxyntomodulin peptide analog GLP1R, GIPR, GPR119 KDM4E 3039/4885DBH 1175/4885GAA 1219/4885
US-10953076-B2 Insulin receptor partial agonists and GLP-1 analogues GLP1R, GIPR, IAPP KDM4E 3556/4885DBH 1443/4885GAA 2026/4885
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 KDM4E 3173/4885DBH 2518/4885GAA 3941/4885
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 KDM4E 3367/4885DBH 1533/4885GAA 2115/4885
US-11236142-B2 Acylated oxyntomodulin peptide analog GLP1R, GIPR, GPR119 KDM4E 2727/4885DBH 1314/4885GAA 1494/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA KDM4E 1653/4885DBH 114/4885GAA 170/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA KDM4E 1653/4885DBH 114/4885GAA 170/4885

“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.