SCHEMBL4211686

SCHEMBL4211686

CC(C)Oc1ccccc1-n1nnnc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.51
NPSR1 Q6W5P4 2/20 0.48
P2RX7 Q99572 1/20 0.47
ALDH1A1 P00352 5/20 0.42
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4204126 0.86 KCNN4 (0.57) KCNN4NPSR1P2RX7ALDH1A1MAPT
SCHEMBL4215231 0.86 KCNN4 (0.42) KCNN4NPSR1P2RX7ALDH1A1MAPK1
SCHEMBL4209251 0.83 KCNN4 (0.55) KCNN4NPSR1P2RX7ALDH1A1ADRA1D
SCHEMBL4207466 0.82 KCNN4 (0.41) KCNN4NPSR1P2RX7ALDH1A1MAPT
SCHEMBL4210039 0.82 ALDH1A1 (0.56) KCNN4P2RX7ALDH1A1MAPK1L3MBTL1
SCHEMBL4207470 0.81 ALDH1A1 (0.44) KCNN4NPSR1P2RX7ALDH1A1MAPK1
SCHEMBL4209298 0.80 ALDH1A1 (0.48) KCNN4P2RX7ALDH1A1MAPK1
SCHEMBL4208312 0.79 KCNN4 (0.49) KCNN4NPSR1P2RX7ALDH1A1ADRA1D
SCHEMBL4209113 0.79 ALDH1A1 (0.45) KCNN4NPSR1P2RX7ALDH1A1MAPK1
SCHEMBL4209716 0.78 KCNN4 (0.51) 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 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 3193/4885NPSR1 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.