SCHEMBL25061704

SCHEMBL25061704

CCCOC(=O)C1CC(C(C)C)=NO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 6/20 0.36
▸ PPM1B O75688 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PPP1CC P36873 1/20 0.36
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25061706 0.89 MIF (0.35) MIFPPM1BPTPN1PPP1CCCYP1A2
SCHEMBL25061570 0.88 ALDH1A1 (0.35) MIFPPM1BPTPN1PPP1CCCYP1A2
SCHEMBL20640947 0.80 MIF (0.50) MIFCYP1A2CYP2C19HTTKDM4E
SCHEMBL25061719 0.78 MIF (0.36) MIFHTTNPC1HPGDRAB9A
SCHEMBL25061491 0.77 MIF (0.35) MIFCYP1A2CYP2C19HTTNPC1
SCHEMBL25400433 0.72 CAPN9 (0.32) MIFKDM4ENPC1HPGDRAB9A
SCHEMBL25400440 0.72 CAPN9 (0.32) MIFKDM4ENPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL25398147 0.71 CAPN9 (0.31) MIFKDM4ENPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL25398149 0.71 CAPN9 (0.31) MIFKDM4ENPC1HPGDRAB9A
SCHEMBL20640508 0.70 MLYCD (0.32) CYP1A2CYP2C19

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 MIF 4762/4885PPM1B 2241/4885PTPN1 1552/4885

“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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