SCHEMBL4207326

SCHEMBL4207326

CCCCOc1ccccc1-n1cnnn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41

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
SCHEMBL4210503 0.93 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4202205 0.86 ALDH1A1 (0.51) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4197409 0.81 XDH (0.48) ALDH1A1NPSR1TSHRKMT2ANOTUM
SCHEMBL4215649 0.75 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRKMT2ANOTUM
SCHEMBL4205521 0.74 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRKMT2ANOTUM
SCHEMBL4202083 0.74 CYP19A1 (0.63) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL22716415 0.73 NR1H2 (0.50) ALDH1A1NPSR1TSHRKMT2ANOTUM
SCHEMBL12615992 0.73 ALDH1A1 (0.68) ALDH1A1NPSR1TSHRKMT2AMAPT
SCHEMBL16144650 0.73 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRKMT2ANOTUM
SCHEMBL4199187 0.72 SMN1; SMN2 (0.56) ALDH1A1TSHRKMT2AMAPTKDM4E

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 ALDH1A1 4/4885NPSR1 2735/4885CYP1A2 63/4885

“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.

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