SCHEMBL4205359

SCHEMBL4205359

CCOc1cccc(-n2nnnc2C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 4/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
TSHR P16473 1/20 0.57
NOTUM Q6P988 1/20 0.46
HTT P42858 4/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
BCHE P06276 1/20 0.40
LIPC P11150 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4205246 0.90 ALDH1A1 (0.55) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4215191 0.90 ALDH1A1 (0.49) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4197372 0.88 ALDH1A1 (0.48) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL12775403 0.88 ALDH1A1 (0.58) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4199160 0.86 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4215358 0.85 MAPT (0.52) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4204766 0.85 ALDH1A1 (0.58) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4210628 0.82 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4197368 0.82 ALDH1A1 (0.40) ALDH1A1LMNARAB9ANPC1TSHR
SCHEMBL4204199 0.81 NPSR1 (0.47) ALDH1A1LMNARAB9ANPC1TSHR

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 4/4885LMNA 2434/4885RAB9A 4394/4885

“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.