SCHEMBL4200818

SCHEMBL4200818

CC(C)Oc1cccc(-n2nnnc2C(F)(F)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.48
ALDH1A1 P00352 11/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
CACNA1B Q00975 2/20 0.38
APBA1 Q02410 2/20 0.38
CCR6 P51684 1/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL4204199 0.90 NPSR1 (0.47) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4213827 0.88 ALDH1A1 (0.39) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4195952 0.85 NPSR1 (0.48) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4203127 0.85 ALDH1A1 (0.56) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4203500 0.84 ALDH1A1 (0.41) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4213741 0.83 ALDH1A1 (0.41) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4205246 0.82 ALDH1A1 (0.55) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4197375 0.80 ALDH1A1 (0.50) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4207010 0.79 ALDH1A1 (0.46) NPSR1ALDH1A1RAB9AMAPTHPGD
SCHEMBL4208305 0.78 NPSR1 (0.51) NPSR1ALDH1A1RAB9AMAPTHPGD

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 NPSR1 2735/4885ALDH1A1 4/4885RAB9A 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.