SCHEMBL4207380

SCHEMBL4207380

CCCOc1ccc(-n2nnnc2CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
CACNA2D1 P54289 1/20 0.51
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PRMT1 Q99873 4/20 0.43
CYP19A1 P11511 1/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL4204760 0.94 MAPT (0.53) ALDH1A1CACNA2D1PKMHTTNLRP3
SCHEMBL4203992 0.90 ALDH1A1 (0.51) ALDH1A1CACNA2D1PKMHTTNLRP3
SCHEMBL4211669 0.88 MAPT (0.56) ALDH1A1CACNA2D1PKMHTTNLRP3
SCHEMBL4213968 0.84 ALDH1A1 (0.52) ALDH1A1CACNA2D1PKMHTTNLRP3
SCHEMBL4203093 0.84 MAPT (0.52) ALDH1A1CACNA2D1PKMHTTNLRP3
SCHEMBL4211651 0.83 ALDH1A1 (0.54) ALDH1A1CACNA2D1PKMHTTNLRP3
SCHEMBL4209751 0.83 ALDH1A1 (0.62) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4213825 0.82 ALDH1A1 (0.49) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL8517378 0.81 ALDH1A1 (0.51) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4199038 0.80 ALDH1A1 (0.51) ALDH1A1PKMHTTNLRP3LMNA

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 5 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
CN-100402508-C Alkoxytetrazol-1-ylbenzaldehyde compound and process for producing the same TOYO KASEI KOGYO CO LTD (JP) 2008-07-16 CN 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
CN-1826329-A Alkoxy- (tetrazol-1-yl) benzaldehyde compound and process for producing the same TOYO KASEI KOGYO CO LTD (JP) 2006-08-30 CN 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 4/4885CACNA2D1 4054/4885PKM 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.