SCHEMBL4201412

SCHEMBL4201412

CC(C)COc1ccccc1-n1nnnc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.40
KCNN4 O15554 11/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 1/20 0.35
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL4196490 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1KCNN4L3MBTL1TSHR
SCHEMBL4205786 0.85 MAPK1 (0.53) ALDH1A1MAPK1KCNN4L3MBTL1TSHR
SCHEMBL4197400 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1KCNN4L3MBTL1TSHR
SCHEMBL4209716 0.83 KCNN4 (0.51) ALDH1A1KCNN4TACR1
SCHEMBL4205401 0.82 MAPK1 (0.42) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4209121 0.81 ALDH1A1 (0.45) ALDH1A1MAPK1KCNN4L3MBTL1TSHR
SCHEMBL4205543 0.81 KCNN4 (0.42) ALDH1A1MAPK1KCNN4TACR1
SCHEMBL4205517 0.81 KCNN4 (0.56) ALDH1A1KCNN4TSHRKMT2ATACR1
SCHEMBL4207470 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1KCNN4L3MBTL1TSHR
SCHEMBL4205385 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1KCNN4L3MBTL1TSHR

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 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.