SCHEMBL4195952

SCHEMBL4195952

CC(C)Oc1ccc(-n2nnnc2C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
PRMT1 Q99873 5/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
CACNA1B Q00975 2/20 0.42
APBA1 Q02410 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CCR6 P51684 1/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPBWR1 P48145 1/20 0.35

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
SCHEMBL4202175 0.89 PRMT1 (0.49) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4208686 0.87 PRMT1 (0.39) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4200818 0.85 NPSR1 (0.48) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4204057 0.84 ALDH1A1 (0.52) NPSR1ALDH1A1MAPTHTTHPGD
SCHEMBL4205821 0.83 ALDH1A1 (0.40) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4212269 0.82 ALDH1A1 (0.43) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4207275 0.81 MAPT (0.50) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4198835 0.78 ALDH1A1 (0.50) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4202181 0.78 ALDH1A1 (0.44) NPSR1PRMT1ALDH1A1MAPTHTT
SCHEMBL4209166 0.76 PRMT1 (0.53) NPSR1PRMT1ALDH1A1MAPTHTT

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 3 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
EP-1650198-A1 ALKOXYTETRAZOL-1-YLBENZALDEHYDE COMPOUND AND PROCESS FOR PRODUCING THE SAME Toyo Kasei Kogyo Company Limited (JP) 2006-04-26 EP 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 NPSR1 2735/4885PRMT1 1901/4885ALDH1A1 4/4885

“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.