SCHEMBL4209113

SCHEMBL4209113

CCCCOc1ccccc1-n1nnnc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNN4 O15554 3/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TSHR P16473 3/20 0.38
KMT2A Q03164 3/20 0.38
CASP1 P29466 1/20 0.38
P2RX7 Q99572 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 1/20 0.37
HTT P42858 1/20 0.37
POU5F1 Q01860 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 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
SCHEMBL4209298 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL6049038 0.92 ALDH1A1 (0.40) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4210039 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1CYP2C19KCNN4TSHR
SCHEMBL4207470 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL4197401 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4208594 0.81 MAPK1 (0.44) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4204126 0.80 KCNN4 (0.57) ALDH1A1KCNN4TSHRKMT2AP2RX7
SCHEMBL4212133 0.80 MAPK1 (0.44) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4215231 0.80 KCNN4 (0.42) ALDH1A1MAPK1KCNN4TSHRKMT2A
SCHEMBL4211686 0.79 KCNN4 (0.51) ALDH1A1MAPK1KCNN4P2RX7NPSR1

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 2 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

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 1725/4885CYP1A2 63/4885

“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.