SCHEMBL4207010

SCHEMBL4207010

CCCCOc1cccc(-n2nnnc2C(F)(F)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
S1PR4 O95977 2/20 0.42
HPGD P15428 2/20 0.42
S1PR1 P21453 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FGFR1 P11362 1/20 0.39

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
SCHEMBL4197375 0.94 ALDH1A1 (0.50) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4197372 0.90 ALDH1A1 (0.48) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4205246 0.89 ALDH1A1 (0.55) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4202181 0.88 ALDH1A1 (0.44) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4215191 0.84 ALDH1A1 (0.49) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4203500 0.83 ALDH1A1 (0.41) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4198835 0.83 ALDH1A1 (0.50) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4203127 0.82 ALDH1A1 (0.56) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4213741 0.80 ALDH1A1 (0.41) ALDH1A1RAB9ALMNANPC1TSHR
SCHEMBL4213827 0.80 ALDH1A1 (0.39) ALDH1A1RAB9ALMNANPC1TSHR

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 4/4885RAB9A 4394/4885LMNA 2434/4885

“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.