SCHEMBL4690944

SCHEMBL4690944

O=C(OCCl)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
HTT P42858 2/20 0.44
NAAA Q02083 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 3/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 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
SCHEMBL1996146 0.98 EPHX1 (0.48) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL697265 0.96 EPHX1 (0.41) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL12988069 0.91
SCHEMBL12987688 0.84 L3MBTL1 (0.38) EPHX1HTTNAAAL3MBTL1ALDH1A1
SCHEMBL6016919 0.82 L3MBTL1 (0.35) EPHX1HTTL3MBTL1
SCHEMBL1023656 0.82 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL12987194 0.82 CYP19A1 (0.41) EPHX1HTTCYP19A1SMN1; SMN2KDM4E
SCHEMBL21611826 0.80 PLG (0.38) EPHX1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL17625372 0.80 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL12987621 0.80 DPP4 (0.36) EPHX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
US-9907796-B2 Methods of treating tumoral diseases, or bacterial or viral infections INHIBIKASE THERAPEUTICS, INC. (US) 2018-03-06 US claimed
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections SPHAERA PHARMA PTE. LTD. (SG) 2017-01-05 US claimed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 EP claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 US claimed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 WO claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 US disclosed
CN-109320553-B Nucleoside reverse transcriptase inhibitors for antiviral use 深圳市塔吉瑞生物医药有限公司 2024-05-14 CN disclosed
US-11389463-B2 Antiviral nucleoside reverse transcriptase inhibitor SHENZHEN TARGETRX, INC. (CN) 2022-07-19 US disclosed
US-20210093650-A1 NOVEL ANTIVIRAL NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR SHENZHEN TARGETRX, INC. (CN) 2021-04-01 US disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 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 (7 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-20210093650-A1 NOVEL ANTIVIRAL NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR HPRT1, NUDT1, TYMP EPHX1 829/4885HTT 2646/4885NAAA 952/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS EPHX1 808/4885HTT 1747/4885NAAA 1296/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 EPHX1 769/4885HTT 3854/4885NAAA 220/4885
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections POLI, RNASE1, VHL EPHX1 2104/4885HTT 2031/4885NAAA 425/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B EPHX1 2108/4885HTT 515/4885NAAA 2209/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS EPHX1 2044/4885HTT 3608/4885NAAA 975/4885
US-11389463-B2 Antiviral nucleoside reverse transcriptase inhibitor HPRT1, TYMP, NUDT1 EPHX1 930/4885HTT 2268/4885NAAA 827/4885

“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.