SCHEMBL4201301

SCHEMBL4201301

CCCOc1ccccc1-n1nnnc1CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 2/20 0.45
KCNN4 O15554 4/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP1 P29466 1/20 0.40
POU5F1 Q01860 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL4208594 0.93 MAPK1 (0.44) ALDH1A1MAPK1KCNN4NPC1TSHR
SCHEMBL4198846 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL4202154 0.88 MAPK1 (0.56) ALDH1A1MAPK1KCNN4NPC1TSHR
SCHEMBL4205653 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL4211634 0.84 KCNN4 (0.57) ALDH1A1KCNN4NPC1TSHRKMT2A
SCHEMBL4205385 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1KCNN4NPC1TSHR
SCHEMBL4212133 0.83 MAPK1 (0.44) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL4209298 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL4211657 0.80 KCNN4 (0.41) ALDH1A1MAPK1KCNN4NPC1TSHR
SCHEMBL4208312 0.80 KCNN4 (0.49) ALDH1A1MAPK1KCNN4NPC1NPSR1

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 5 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
CN-100402508-C Alkoxytetrazol-1-ylbenzaldehyde compound and process for producing the same TOYO KASEI KOGYO CO LTD (JP) 2008-07-16 CN 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
CN-1826329-A Alkoxy- (tetrazol-1-yl) benzaldehyde compound and process for producing the same TOYO KASEI KOGYO CO LTD (JP) 2006-08-30 CN 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 ALDH1A1 4/4885MAPK1 1725/4885KCNN4 3193/4885

“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.