SCHEMBL25005831

SCHEMBL25005831

CC(Sc1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL24012949 0.75 MAOA (0.41) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL10344557 0.75 MAOA (0.41) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL343269 0.74 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL1453001 0.74 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL5173197 0.74 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL1713865 0.73 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL13377511 0.73 LMNA (0.39) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
Fluoride SCHEMBL1336886 0.72 MAOA (0.48) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
Fluoride SCHEMBL27856329 0.72 MAOA (0.48) SMN1; SMN2L3MBTL1MAPK1POLBMAOA
SCHEMBL8428763 0.71 MAOA (0.39) SMN1; SMN2L3MBTL1MAPK1MAOAMAOB

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 SMN1; SMN2 2881/4885L3MBTL1 1742/4885MAPK1 2615/4885

“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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