SCHEMBL25007273

SCHEMBL25007273

CCCC(C)(CCC)NC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
EPHX1 P07099 9/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SHBG P04278 1/20 0.33
EPHX2 P34913 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
SCHEMBL19016270 0.98 EPHX1 (0.33) CYP1A2EPHX1ALDH1A1KDM4EHSD17B10
SCHEMBL25798184 0.92 CYP1A2 (0.34) CYP1A2EPHX1ALDH1A1KDM4EHSD17B10
SCHEMBL21166221 0.89 CYP1A2 (0.42) CYP1A2EPHX1SIGMAR1EPHX2
SCHEMBL19983332 0.83 CYP1A2 (0.43) CYP1A2EPHX1SIGMAR1EPHX2
SCHEMBL8451118 0.83 EPHX1 (0.37) CYP1A2EPHX1ALDH1A1KDM4EHSD17B10
SCHEMBL23084777 0.82 ALDH1A1 (0.38) CYP1A2EPHX1ALDH1A1KDM4EHSD17B10
SCHEMBL20033718 0.82 CYP1A2 (0.42) CYP1A2EPHX1SIGMAR1EPHX2
SCHEMBL19334479 0.80 CYP1A2 (0.41) CYP1A2EPHX1SIGMAR1EPHX2
SCHEMBL22001216 0.80 EPHX1 (0.34) CYP1A2EPHX1ALDH1A1KDM4EHSD17B10
SCHEMBL21166196 0.79

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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 CYP1A2 40/4885EPHX1 2131/4885ALDH1A1 2826/4885

“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.