SCHEMBL4208686

SCHEMBL4208686

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR6 P51684 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 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
SCHEMBL4199018 0.90 PRMT1 (0.40) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4195952 0.87 NPSR1 (0.48) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4213827 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL4207275 0.82 MAPT (0.50) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4205821 0.81 ALDH1A1 (0.40) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4204057 0.80 ALDH1A1 (0.52) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL4198835 0.80 ALDH1A1 (0.50) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4202181 0.80 ALDH1A1 (0.44) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4202185 0.79 LMNA (0.47) PRMT1ALDH1A1MAPTHTTHPGD
SCHEMBL4205310 0.78 KCNN4 (0.41) ALDH1A1NPSR1

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 PRMT1 1901/4885ALDH1A1 4/4885MAPT 3279/4885

“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.