SCHEMBL4199749

SCHEMBL4199749

CCCCOc1ccc(-n2nnnc2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 6/20 0.43
CYP2C9 P11712 5/20 0.43
CYP3A4 P08684 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL4207113 0.94 ALDH1A1 (0.50) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4212147 0.88 MAPT (0.53) MAPTALDH1A1LMNATP53HSP90AA1
SCHEMBL4205775 0.87 ALDH1A1 (0.49) CYP19A1MAPTALDH1A1LMNACYP2C9
SCHEMBL4202148 0.84 LMNA (0.44) MAPTALDH1A1LMNACYP2C9CYP2C19
SCHEMBL4202188 0.81 CYP2D6 (0.54) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4203933 0.80 ALDH1A1 (0.53) MAPTALDH1A1LMNACYP2C9CYP1A2
SCHEMBL4207119 0.80 MAPT (0.43) MAPTALDH1A1LMNATP53HSP90AA1
SCHEMBL4208584 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNATP53HPGD
SCHEMBL14219169 0.79 CYP19A1 (0.49) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4204760 0.79 MAPT (0.53) CYP19A1MAPTALDH1A1LMNACYP2D6

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 CYP19A1 496/4885MAPT 3279/4885ALDH1A1 4/4885

“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.