SCHEMBL4202205

SCHEMBL4202205

CCOc1ccccc1-n1cnnn1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ HPGD P15428 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RCE1 Q9Y256 1/20 0.51
▸ TSHR P16473 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK10 P53779 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ PKM P14618 3/20 0.47
▸ USP2 O75604 3/20 0.47
▸ CACNA2D1 P54289 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPT P10636 1/20 0.45

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 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDNPSR1CYP1A2
SCHEMBL4207326 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDNPSR1CYP1A2
SCHEMBL4197409 0.84 XDH (0.48) ALDH1A1NPSR1TSHR
SCHEMBL2721346 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDNPSR1TSHR
SCHEMBL4215649 0.79 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1TSHR
SCHEMBL4205521 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRTP53
SCHEMBL4203255 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ENPSR1TSHRLMNA
SCHEMBL12615992 0.76 ALDH1A1 (0.68) ALDH1A1KDM4ENPSR1TSHRHSD17B10
SCHEMBL16144650 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1TSHR
SCHEMBL27941623 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1TSHR

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 4/4885KDM4E 1761/4885HPGD 2627/4885

“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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