SCHEMBL4202154

SCHEMBL4202154

CCOc1ccccc1-n1nnnc1CC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 6/20 0.52
KCNN4 O15554 3/20 0.51
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
KMT2A Q03164 1/20 0.49
CACNA2D1 P54289 1/20 0.48
POU5F1 Q01860 1/20 0.47
P2RX7 Q99572 1/20 0.46
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4201301 0.88 ALDH1A1 (0.50) MAPK1ALDH1A1KCNN4TSHRCASP1
SCHEMBL4203249 0.88 MAPK1 (0.54) MAPK1ALDH1A1KCNN4TSHRCASP1
SCHEMBL4208594 0.87 MAPK1 (0.44) MAPK1ALDH1A1KCNN4TSHRCASP1
SCHEMBL4211634 0.86 KCNN4 (0.57) ALDH1A1KCNN4TSHRKMT2AP2RX7
SCHEMBL4205385 0.86 ALDH1A1 (0.46) MAPK1ALDH1A1KCNN4TSHRCASP1
SCHEMBL4215375 0.83 MAPK1 (0.57) MAPK1ALDH1A1KCNN4TSHRCASP1
SCHEMBL4208312 0.82 KCNN4 (0.49) MAPK1ALDH1A1KCNN4P2RX7NPC1
SCHEMBL4211657 0.82 KCNN4 (0.41) MAPK1ALDH1A1KCNN4TSHRP2RX7
SCHEMBL10711024 0.82 MAPK1 (0.56) MAPK1ALDH1A1KCNN4TSHRCASP1
SCHEMBL4208591 0.80 KCNN4 (0.43) MAPK1ALDH1A1KCNN4TSHRCASP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939675-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT Shin Nippon Biomedical Laboratories, Ltd. (JP) 2015-11-04 EP disclosed
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 MAPK1 1725/4885ALDH1A1 4/4885KCNN4 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.