SCHEMBL6968615

SCHEMBL6968615

COC=C(C(=O)OC)c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL6968613 1.00 KDM4E (0.34) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2812354 0.74 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2997336 0.74 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2812357 0.74 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL51251 0.73 TSHR (0.48) KDM4ETDP1L3MBTL1MAPTTSHR
SCHEMBL6965172 0.71 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL6965168 0.71 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL6972237 0.71 HIF1A (0.41) MAPTTSHR
SCHEMBL6972239 0.71 HIF1A (0.41) MAPTTSHR
SCHEMBL1426474 0.70 NPC1 (0.43) SMN1; SMN2L3MBTL1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055996-A1 METHOD OF PREPARING MALONONITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-02-24 US claimed
EP-3822253-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-05-19 EP claimed
US-11952355-B2 Method of preparing malononitrile oxime ether compound and intermediate compound SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2024-04-09 US disclosed
US-20220055996-A1 METHOD OF PREPARING MALONONITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-02-24 US disclosed
CN-110713443-B Process for preparing malononitrile oxime ether compounds and intermediate compounds 沈阳中化农药化工研发有限公司 2022-01-28 CN disclosed
EP-3822253-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-05-19 EP disclosed
CN-110713443-A Process for preparing malononitrile oxime ether compounds and intermediate compounds 沈阳中化农药化工研发有限公司 2020-01-21 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 (2 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-11952355-B2 Method of preparing malononitrile oxime ether compound and intermediate compound CYP2E1, CYP3A4, POR KDM4E 524/4885SMN1; SMN2 3300/4885TDP1 4678/4885
US-20220055996-A1 METHOD OF PREPARING MALONONITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND CYP2B6, CYP2D6, CYP2A6 KDM4E 893/4885SMN1; SMN2 4024/4885TDP1 4675/4885

“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.