SCHEMBL4199024

SCHEMBL4199024

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.43
PRMT1 Q99873 1/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP1A2 P05177 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP3A4 P08684 5/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
CACNA1B Q00975 2/20 0.42
APBA1 Q02410 2/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 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
SCHEMBL4205395 0.94 ALDH1A1 (0.49) CYP19A1ALDH1A1LMNAPRMT1CYP2C9
SCHEMBL4202181 0.89 ALDH1A1 (0.44) CYP19A1ALDH1A1LMNAPRMT1CYP2C9
SCHEMBL4215358 0.89 MAPT (0.52) ALDH1A1LMNAPRMT1CYP2C9CYP1A2
SCHEMBL4197372 0.87 ALDH1A1 (0.48) CYP19A1ALDH1A1LMNACYP2C9CYP2D6
SCHEMBL4198835 0.84 ALDH1A1 (0.50) CYP19A1ALDH1A1LMNAPRMT1CYP2C9
SCHEMBL4205411 0.82 PRMT1 (0.42) ALDH1A1LMNAPRMT1CYP2C9CYP1A2
SCHEMBL4216728 0.81 SMN1; SMN2 (0.55) ALDH1A1LMNACYP2C9CYP1A2CYP2C19
SCHEMBL4215191 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHTTHPGD
SCHEMBL4202188 0.80 CYP2D6 (0.54) CYP19A1ALDH1A1LMNACYP2C9CYP2D6
SCHEMBL8322001 0.80 TACR1 (0.38) MAPT

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 CYP19A1 496/4885ALDH1A1 4/4885LMNA 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.