SCHEMBL304231

SCHEMBL304231

CCOC(=O)OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
NAAA Q02083 2/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.47
SOAT1 P35610 1/20 0.44
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL11592822 1.00 EPHX1 (0.53) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL3110206 1.00 EPHX1 (0.53) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL4630680 1.00 EPHX1 (0.53) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL11591470 1.00 EPHX1 (0.53) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL11591733 1.00 EPHX1 (0.53) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL11593452 1.00 EPHX1 (0.53) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL1078177 0.98 EPHX1 (0.56) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL305155 0.98 ALDH1A1 (0.50) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL8375449 0.94 ALDH1A1 (0.50) EPHX1NAAAALDH1A1HTTSOAT1
SCHEMBL4640870 0.91

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 1981 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373994-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF ST PHARM CO., LTD. (KR) 2023-11-23 US claimed
EP-4201405-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF ST Pharm Co., Ltd. (KR) 2023-06-28 EP claimed
US-11234966-B2 C5-substituted carbapenem antibiotics, compositions containing such compounds, and methods of use in treatment of mycobacterium tuberculosis and non-tubercular mycobacteria SOUTHERN METHODIST UNIVERSITY (US) 2022-02-01 US claimed
US-20200339582-A1 Atypical Carbapenem Antibiotics with Improved Activity Against Carbapenemase-Producing Acinetobacter baumannii BUYNAK JOHN (US) 2020-10-29 US claimed
US-20200281894-A1 C5-SUBSTITUTED CARBAPENEM ANTIBIOTICS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF USE IN TREATMENT OF MYCOBACTERIUM TUBERCULOSIS AND NON-TUBERCULAR MYCOBACTERIA UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2020-09-10 US claimed
US-10702501-B2 C5-substituted carbapenem antibiotics, compositions containing such compounds, and methods of use in treatment of Mycobacterium tuberculosis and non-tubercular mycobacteria SOUTHERN METHODIST UNIVERSITY (US) 2020-07-07 US claimed
US-20180353476-A1 C5-SUBSTITUTED CARBAPENEM ANTIBIOTICS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF USE IN TREATMENT OF MYCOBACTERIUM TUBERCULOSIS AND NON-TUBERCULAR MYCOBACTERIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-13 US claimed
CN-207405107-U A kind of process units of tert-butylcyclohexyl ethyl carbonate synthetic perfume 安徽华业香料合肥有限公司 2018-05-25 CN claimed
CN-102558181-B Preparation method of carbapenems CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN 2015-04-22 CN claimed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US claimed
EP-0497978-A1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1992-08-12 EP claimed
EP-0495953-A1 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. GLAXO SPA (IT) 1992-07-29 EP claimed
EP-0484966-A2 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation Eisai Co., Ltd. (JP) 1992-05-13 EP claimed
WO-1992003437-A1 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF GLAXO S.P.A. (IT) 1992-03-05 WO claimed
WO-1992003444-A1 PENEM COMPOUNDS SUNTORY LIMITED (JP) 1992-03-05 WO claimed
US-4874856-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1989-10-17 US claimed
EP-0307872-A2 Esters of amino-acids, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-22 EP claimed
EP-0304036-A2 3-(substituted)propenyl-7-(aminothiazolylacetamido)ceph-3-em-4-carboxylic acids and esters thereof Bristol-Myers Squibb Company (US) 1989-02-22 EP claimed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 US claimed
EP-0005793-A1 Process for the preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-12-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10702501-B2 C5-substituted carbapenem antibiotics, compositions containing such compounds, and methods of use in treatment of Mycobacterium tuberculosis and non-tubercular mycobacteria C5, C3AR1, C1R EPHX1 2409/4885NAAA 624/4885ALDH1A1 2602/4885
US-20200281894-A1 C5-SUBSTITUTED CARBAPENEM ANTIBIOTICS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF USE IN TREATMENT OF MYCOBACTERIUM TUBERCULOSIS AND NON-TUBERCULAR MYCOBACTERIA C5, C3AR1, C1R EPHX1 2409/4885NAAA 624/4885ALDH1A1 2602/4885
US-11234966-B2 C5-substituted carbapenem antibiotics, compositions containing such compounds, and methods of use in treatment of mycobacterium tuberculosis and non-tubercular mycobacteria C5, C3AR1, C1R EPHX1 2409/4885NAAA 624/4885ALDH1A1 2602/4885
US-20180353476-A1 C5-SUBSTITUTED CARBAPENEM ANTIBIOTICS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF USE IN TREATMENT OF MYCOBACTERIUM TUBERCULOSIS AND NON-TUBERCULAR MYCOBACTERIA C5, C3AR1, C1R EPHX1 2409/4885NAAA 624/4885ALDH1A1 2602/4885
US-20230373994-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF PYCR1, PIN1, QDPR EPHX1 2293/4885NAAA 3359/4885ALDH1A1 998/4885

“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.