SCHEMBL3131272

SCHEMBL3131272

C=C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 4/20 0.40
CA14 Q9ULX7 2/20 0.40
CA1 P00915 4/20 0.39
CA9 Q16790 2/20 0.39
EPHX1 P07099 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CA7 P43166 2/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36
APLNR P35414 1/20 0.36

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
SCHEMBL18689367 0.85 TDP1 (0.48) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8083294 0.84 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14044868 0.83 MEN1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL27429142 0.83 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL959018 0.83 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8295860 0.82 MAOA (0.51) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18902256 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22416651 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL13273476 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14822612 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410311-B2 Resin composition and multilayered structure using same KURARAY CO., LTD. (JP) 2025-09-09 US disclosed
WO-2022268229-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE 和径医药科技(上海)有限公司 2022-12-29 WO disclosed
US-20220041850-A1 Resin Composition and Multilayered Structure Using Same KURARAY CO., LTD. (JP) 2022-02-10 US disclosed
WO-2021229152-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2021-11-18 WO disclosed
US-10039761-B2 Co-crystals and pharmaceutical compositions comprising the same VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-20180193341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-12 US disclosed
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 US disclosed
US-20100003419-A1 METHOD OF PRODUCING A SHAPED ARTICLE HAVING EXCELLENT BARRIER PROPERTIES KURARAY CO., LTD. (JP) 2010-01-07 US disclosed
US-20100003437-A1 METHOD OF PRODUCING A SHAPED ARTICLE HAVING EXCELLENT BARRIER PROPERTIES KURARAY CO., LTD. (JP) 2010-01-07 US disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
EP-1166892-B1 A method of producing a shaped article having excellent barrier properties KURARAY CO (JP) 2006-09-27 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
US-20050233086-A1 Method of producing a shaped article having excellent barrier properties KURARAY CO., LTD (JP) 2005-10-20 US disclosed
US-20040076780-A1 Method of producing a shaped article having excellent barrier properties KURARAY CO. LTD (JP) 2004-04-22 US disclosed
US-20020172788-A1 Method of producing a shaped article having excellent barrier properties KURARAY CO., LTD. (JP) 2002-11-21 US disclosed
EP-1166892-A2 A method of producing a shaped article having excellent barrier properties Kuraray Co., Ltd. (JP) 2002-01-02 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 (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-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK TDP1 11/4885MAOA 3428/4885MAOB 2973/4885
US-10039761-B2 Co-crystals and pharmaceutical compositions comprising the same SUCNR1, SDHA, SDHB TDP1 4438/4885MAOA 1124/4885MAOB 1830/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK TDP1 11/4885MAOA 3428/4885MAOB 2973/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK TDP1 11/4885MAOA 3428/4885MAOB 2973/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 TDP1 612/4885MAOA 282/4885MAOB 306/4885

“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.