SCHEMBL25061570

SCHEMBL25061570

CCOC(=O)C1CC(C(C)C)=NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MIF P14174 3/20 0.35
▸ LIPE Q05469 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL25061704 0.88 MIF (0.36) KDM4EHPGDMIFCYP1A2CYP2C19
SCHEMBL25400433 0.83 CAPN9 (0.32) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL25400440 0.83 CAPN9 (0.32) ALDH1A1MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL25398147 0.82 CAPN9 (0.31) ALDH1A1MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL25398149 0.82 CAPN9 (0.31) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL20640947 0.82 MIF (0.50) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL20640508 0.81 MLYCD (0.32) MAPTCYP1A2CYP2C19TDP1MLYCD
SCHEMBL25061719 0.81 MIF (0.36) ALDH1A1MAPTHPGDMIFHTT
SCHEMBL4764842 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL25061491 0.79 MIF (0.35) ALDH1A1KMT2AMAPTHSD17B10MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 — — US 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 (1 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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 ALDH1A1 1217/4885MEN1 4688/4885KMT2A 2284/4885

“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.

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