SCHEMBL25007231

SCHEMBL25007231

Cn1ccc2ccc(OC(=O)OCC(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
CYP2A6 P11509 1/20 0.39
MCL1 Q07820 4/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
FABP4 P15090 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4255274 0.80 MTNR1A (0.49) MTNR1AMTNR1BCYP2A6MCL1MAOA
SCHEMBL23841171 0.79 ELANE (0.53) CYP2A6KDM4EALDH1A1HPGD
SCHEMBL20072247 0.77 CYP2A6 (0.47) MTNR1AMTNR1BCYP2A6MAOAMAOB
SCHEMBL27741946 0.76 MTNR1A (0.46) MTNR1AMTNR1BCYP2A6MCL1MAOA
SCHEMBL26699112 0.76 CYP2A6 (0.46) MTNR1AMTNR1BCYP2A6MCL1MAOA
SCHEMBL15322281 0.72 MAOA (0.52) MAOAMAOB
SCHEMBL21966109 0.70 CYP2A6 (0.46) MTNR1AMTNR1BCYP2A6MCL1TRPV1
SCHEMBL30864172 0.70 CYP2A6 (0.46) MTNR1AMTNR1BCYP2A6MCL1
SCHEMBL12605658 0.70 BRD4 (0.51) MTNR1AMTNR1BCYP2A6MCL1ALDH1A1
SCHEMBL29830599 0.69 ELANE (0.47) MTNR1AMTNR1BMCL1MAOAMAOB

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 MTNR1A 564/4885MTNR1B 449/4885CYP2A6 3/4885

“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.