SCHEMBL4208591

SCHEMBL4208591

CCc1nnnn1-c1ccccc1OC(C)CC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.43
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 1/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.37
P2RX7 Q99572 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP1 P29466 1/20 0.34
KMT2A Q03164 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
SCHEMBL4212131 0.90 KCNN4 (0.41) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4208312 0.89 KCNN4 (0.49) KCNN4ALDH1A1NPC1MAPK1NPSR1
SCHEMBL4207402 0.85 KCNN4 (0.45) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4215231 0.84 KCNN4 (0.42) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4211634 0.81 KCNN4 (0.57) KCNN4ALDH1A1NPC1NPSR1P2RX7
SCHEMBL4205385 0.81 ALDH1A1 (0.46) KCNN4ALDH1A1NPC1MAPK1L3MBTL1
SCHEMBL4205543 0.81 KCNN4 (0.42) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4202154 0.80 MAPK1 (0.56) KCNN4ALDH1A1NPC1MAPK1P2RX7
SCHEMBL4205310 0.79 KCNN4 (0.41) KCNN4ALDH1A1MAPK1NPSR1MCHR1
SCHEMBL4216094 0.78 KCNN4 (0.47) KCNN4ALDH1A1MAPK1NPSR1P2RX7

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 4/4885NPC1 3229/4885

“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.