SCHEMBL4248940

SCHEMBL4248940

[O]CCOC(=O)OC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
HTT P42858 1/20 0.42
CYP2C19 P33261 1/20 0.41
NAAA Q02083 2/20 0.40
CYP19A1 P11511 4/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP1 P03956 1/20 0.33
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL2956734 0.86 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL5398616 0.84 EPHX1 (0.43) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL6007716 0.83 EPHX1 (0.46) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL8579936 0.82 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL1021168 0.82 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL1559459 0.82 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL8631017 0.82 NAAA (0.50) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL11589171 0.82 NAAA (0.50) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL1023656 0.82 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL11590190 0.82 NAAA (0.50) EPHX1HTTCYP2C19NAAACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20080207524-A1 MEDICINAL PREPARATIONS FOR TREATING SEX HORMONE-DEPENDENT DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
EP-1917978-A1 PREMATURE OVULATION PREVENTIVE AGENT Takeda Pharmaceutical Company Limited (JP) 2008-05-07 EP disclosed
US-20050250793-A1 Preventives/remedies for hot flash TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 US disclosed
EP-1495768-A1 PREVENTIVES/REMEDIES FOR HOTFLASH Takeda Pharmaceutical Company Limited (JP) 2005-01-12 EP disclosed
US-20040116522-A1 Medicinal solutions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1163244-B1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
EP-1393747-A1 PREVENTIVES/REMEDIES FOR ALZHEIMER'S DISEASE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
US-20040034039-A1 Solid preparations TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
US-20040023987-A1 Sustained release compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
EP-1163244-A1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed
US-6329388-B2 GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; USEFUL FOR PREVENTING OR TREATING SEX HORMONE-DEPENDENT DISEASES, E.G., SEX HORMONE-DEPENDENT CANCERS (E.G., PROSTATIC CANCER, UTERINE CANCER, BREAST CANCER, PITUITARY TUMOR) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
US-6297379-B1 GONADOTROPIN RELEASING HORMONE (GNRH, SOMETIMES CALLED LH-RH (LUTEINIZING HORMONE RELEASING HORMONE)) ANTAGONIZING ACTIVITY, TREATING SEX HORMONE-DEPENDENT DISEASES. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US disclosed
US-6297255-B1 GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; PREVENTING OR TREATING SEX HORMONE-DEPENDENT DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US disclosed
US-6262267-B1 HAS GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; USEFUL FOR PREVENTING OR TREATING SEX HORMONE-DEPENDENT DISEASES, E,G., SEX HORMONE-DEPENDENT CANCERS E.G., PROSTATIC CANCER, UTERINE CANCER, BREAST CANCER, PITUITARY TUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-17 US disclosed
US-20010001104-A1 Thienopyridine compounds, their production and use FURUYA SHUICHI (JP) 2001-05-10 US disclosed
EP-1090010-A1 THIENOPYRIDINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-04-11 EP disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
WO-2000056739-A1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-28 WO disclosed
WO-2000000493-A1 THIENOPYRIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-06 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 (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-20080207524-A1 MEDICINAL PREPARATIONS FOR TREATING SEX HORMONE-DEPENDENT DISEASES SHBG, GNRHR, NR5A1 EPHX1 3103/4885HTT 679/4885CYP2C19 2119/4885
US-20040023987-A1 Sustained release compositions NGLY1, GHSR, GHRHR EPHX1 4077/4885HTT 1836/4885CYP2C19 1577/4885
US-20010001104-A1 Thienopyridine compounds, their production and use PRLHR, PGR, GNRHR EPHX1 1799/4885HTT 906/4885CYP2C19 1084/4885
US-20050250793-A1 Preventives/remedies for hot flash GNRHR, SHBG, FSHR EPHX1 2074/4885HTT 1260/4885CYP2C19 2674/4885
US-20040034039-A1 Solid preparations GYS1, GYS2, SI EPHX1 2338/4885HTT 3970/4885CYP2C19 840/4885
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT GNRHR, FSHR, LHCGR EPHX1 3481/4885HTT 1229/4885CYP2C19 2131/4885

“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.