SCHEMBL4207402

SCHEMBL4207402

CCC(C)Oc1ccccc1-n1nnnc1C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 11/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL4209251 0.85 KCNN4 (0.55) KCNN4ALDH1A1L3MBTL1NPSR1P2RX7
SCHEMBL4208591 0.85 KCNN4 (0.43) KCNN4ALDH1A1MAPK1L3MBTL1NPSR1
SCHEMBL4215231 0.85 KCNN4 (0.42) KCNN4ALDH1A1MAPK1L3MBTL1NPSR1
SCHEMBL4212131 0.83 KCNN4 (0.41) KCNN4ALDH1A1MAPK1L3MBTL1NPSR1
SCHEMBL4205543 0.82 KCNN4 (0.42) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4205310 0.80 KCNN4 (0.41) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4215375 0.80 MAPK1 (0.57) KCNN4ALDH1A1MAPK1L3MBTL1P2RX7
SCHEMBL4209121 0.79 ALDH1A1 (0.45) KCNN4ALDH1A1MAPK1L3MBTL1
SCHEMBL4211677 0.77 KCNN4 (0.66) KCNN4ALDH1A1NPSR1
SCHEMBL4205653 0.77 ALDH1A1 (0.51) KCNN4ALDH1A1MAPK1

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 KCNN4 3193/4885ALDH1A1 4/4885MAPK1 1725/4885

“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.