SCHEMBL4202181

SCHEMBL4202181

CCCCOc1ccc(-n2nnnc2C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP19A1 P11511 5/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C9 P11712 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 4/20 0.41
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PRMT1 Q99873 1/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL4198835 0.95 ALDH1A1 (0.50) ALDH1A1CYP19A1LMNAMAPTCYP2C9
SCHEMBL4199024 0.89 CYP19A1 (0.46) ALDH1A1CYP19A1LMNAMAPTCYP2D6
SCHEMBL4207275 0.89 MAPT (0.50) ALDH1A1LMNAMAPTHSP90AA1HPGD
SCHEMBL4207010 0.88 ALDH1A1 (0.46) ALDH1A1CYP19A1LMNAMAPTCYP2D6
SCHEMBL4205395 0.84 ALDH1A1 (0.49) ALDH1A1CYP19A1LMNAMAPTCYP2C9
SCHEMBL4205821 0.83 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9CYP1A2
SCHEMBL4204057 0.82 ALDH1A1 (0.52) ALDH1A1LMNAMAPTCYP2C9CYP1A2
SCHEMBL4197375 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL4212269 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9CYP1A2
SCHEMBL4208686 0.80 PRMT1 (0.39) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19

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 4/4885CYP19A1 496/4885LMNA 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.