SCHEMBL4201305

SCHEMBL4201305

CCCOc1cccc(-n2nnnc2CCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
HTT P42858 3/20 0.49
PKM P14618 2/20 0.49
NLRP3 Q96P20 1/20 0.49
LMNA P02545 6/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 3/20 0.48
TSHR P16473 3/20 0.48
KMT2A Q03164 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
S1PR4 O95977 2/20 0.46
HPGD P15428 2/20 0.46
S1PR1 P21453 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4197359 0.93 ALDH1A1 (0.50) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4213968 0.90 ALDH1A1 (0.52) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4195887 0.90 ALDH1A1 (0.58) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4211649 0.86 ALDH1A1 (0.61) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4204112 0.86 HTT (0.46) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4203992 0.85 ALDH1A1 (0.51) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4199038 0.84 ALDH1A1 (0.51) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4205910 0.83 ALDH1A1 (0.54) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4204110 0.83 ALDH1A1 (0.45) ALDH1A1HTTPKMNLRP3LMNA
SCHEMBL4209218 0.83 NPSR1 (0.46) ALDH1A1HTTPKMNLRP3LMNA

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 4/4885HTT 494/4885PKM 592/4885

“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.