SCHEMBL26291406

SCHEMBL26291406

CCOC(=O)CNC1CCc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL26291234 0.84 CCR2 (0.41) SCN3ATRPV1ACHECCR2SRD5A1
SCHEMBL29792352 0.82 TRPV1 (0.46) ALDH1A1KMT2ATRPV1CCR2SRD5A1
SCHEMBL11010091 0.82 MAOA (0.52) ALDH1A1HPGDKMT2AACHECA1
Hydrochloric Acid SCHEMBL9725935 0.81 MAOA (0.51) ALDH1A1HPGDKMT2AACHECA1
SCHEMBL26291191 0.81 CCR2 (0.39) ALDH1A1SCN3ATRPV1ACHETDP2
SCHEMBL24842400 0.79 ALDH1A1 (0.45) ALDH1A1SCN3ACD274
SCHEMBL24842448 0.79 ALDH1A1 (0.45) ALDH1A1SCN3ACD274
SCHEMBL9725958 0.78 SCN3A (0.56) ALDH1A1MAPTSCN3ACD274
SCHEMBL26309878 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKMT2ANLRP3
SCHEMBL26309876 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKMT2ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 — — US disclosed
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 — — 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-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF CYP11B2, ALDH7A1, CYP11B1 ALDH1A1 47/4885MAPT 4087/4885HPGD 506/4885

“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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