SCHEMBL3594828

SCHEMBL3594828

COC(=O)CC(=O)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GSK3B P49841 1/20 0.33
PIK3CD O00329 2/20 0.33
EPHX2 P34913 2/20 0.33
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL20625190 0.89 MGAM (0.35) GLAMGAMGAASIMGAM2
SCHEMBL221809 0.85 GAA (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL771683 0.83 GAA (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL30724425 0.83 PIK3CD (0.34) TSHRSMN1; SMN2PIK3CD
SCHEMBL3599766 0.82 PIK3CD (0.36) TSHRSMN1; SMN2PIK3CDEPHX2
SCHEMBL696158 0.82 RECQL (0.41) GAASMN1; SMN2
SCHEMBL1017827 0.81 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL1013082 0.81 EPHX2 (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL3604818 0.80 PPM1B (0.40) GLAMGAMGAASIMGAM2
SCHEMBL17731445 0.79 PIK3CD (0.38) MGAMGAASIMGAM2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
CN-110036006-B Preparation and use of pyrimidinone derivatives 癌症研究科技有限公司 2022-12-13 CN disclosed
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US disclosed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-7741497-B2 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane UBE INDUSTRIES, LTD. (JP) 2007-02-22 US disclosed
EP-1700852-A1 PROCESSES FOR PRODUCING ALKYL 3-(4-TETRAHYDROPYRANYL)-3-OXOPROPIONATE COMPOUND AND 4-ACYLTETRAHYDROPYRAN Ube Industries, Ltd. (JP) 2006-09-13 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 (6 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 GLA 4448/4885MGAM 2959/4885GAA 637/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 GLA 4448/4885MGAM 2959/4885GAA 637/4885
US-20070043107-A1 Processes for preparing alkyl 3-(4-tetrahydropyranyl)-3-oxopropanoate compound and 4-acyltetrahydropyrane DHPS, OXER1, CYP4A11 GLA 4643/4885MGAM 4787/4885GAA 4637/4885
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CDC7, CDK7, CDK17 GLA 4153/4885MGAM 4543/4885GAA 1817/4885
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE GLA 3389/4885MGAM 2258/4885GAA 1383/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 GLA 3626/4885MGAM 4187/4885GAA 2071/4885

“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.