SCHEMBL4210125

SCHEMBL4210125

CC(C)Oc1ccccc1-n1nnnc1C(F)(F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 11/20 0.49
NPSR1 Q6W5P4 1/20 0.46
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 3/20 0.38
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL4209716 0.89 KCNN4 (0.51) KCNN4NPSR1P2RX7ALDH1A1ADRA1D
SCHEMBL4205310 0.88 KCNN4 (0.41) KCNN4NPSR1P2RX7ALDH1A1
SCHEMBL6049030 0.87 ALDH1A1 (0.43) KCNN4NPSR1P2RX7ALDH1A1
SCHEMBL4201420 0.85 KCNN4 (0.53) KCNN4NPSR1ALDH1A1
SCHEMBL4196490 0.84 ALDH1A1 (0.40) KCNN4NPSR1ALDH1A1
SCHEMBL4216678 0.83 KCNN4 (0.40) KCNN4P2RX7ALDH1A1
SCHEMBL4202329 0.82 MAPK1 (0.51) KCNN4P2RX7ALDH1A1
SCHEMBL4203059 0.80 ALDH1A1 (0.48) KCNN4NPSR1ALDH1A1
SCHEMBL4205313 0.79 ALDH1A1 (0.41) KCNN4NPSR1ALDH1A1
SCHEMBL4209251 0.77 KCNN4 (0.55) KCNN4NPSR1P2RX7ALDH1A1ADRA1D

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-7579480-B2 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-08-25 US disclosed
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-03-15 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-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same ALDH7A1, NAT1, ARSA KCNN4 3193/4885NPSR1 2735/4885P2RX7 2278/4885

“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.