SCHEMBL25618890

SCHEMBL25618890

CCn1cc(C)c(C(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
COMT P21964 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
KCNH2 Q12809 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
SCHEMBL26389476 0.84
SCHEMBL12299841 0.82 HTT (0.37) HTTSMN1; SMN2L3MBTL1COMTALDH1A1
SCHEMBL26388989 0.80 HTT (0.33) HTTSMN1; SMN2L3MBTL1COMTALDH1A1
SCHEMBL26067012 0.79 HDAC9 (0.30)
SCHEMBL23808019 0.78 RECQL (0.35) HTTSMN1; SMN2L3MBTL1COMTALDH1A1
SCHEMBL15071415 0.78 HTT (0.35) HTTSMN1; SMN2L3MBTL1COMTALDH1A1
SCHEMBL29911994 0.78 NPC1 (0.47) HTTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL18330127 0.74 SMN1; SMN2 (0.39) HTTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL18330041 0.73 KLKB1 (0.39) HTTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL1871681 0.73 L3MBTL1 (0.40) HTTSMN1; SMN2L3MBTL1ALDH1A1LMNA

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-20230167062-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURAL FRAGMENTS AND PREPARATION METHOD AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-06-01 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-20230167062-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURAL FRAGMENTS AND PREPARATION METHOD AND APPLICATION THEREOF AADAC, AAK1, ACLY HTT 2444/4885SMN1; SMN2 3761/4885L3MBTL1 3061/4885

“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.