SCHEMBL4200665

SCHEMBL4200665

CCCc1nnnn1-c1ccc(OCC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRMT1 Q99873 4/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MDM2 Q00987 1/20 0.38
MCL1 Q07820 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4213825 0.89 ALDH1A1 (0.49) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4215254 0.86 MAPT (0.53) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4204112 0.86 HTT (0.46) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4203992 0.85 ALDH1A1 (0.51) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4203093 0.85 MAPT (0.52) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4203810 0.83 PRMT1 (0.60) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4203146 0.82 PRMT1 (0.50) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4202133 0.81 ALDH1A1 (0.59) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4202372 0.80 LMNA (0.48) ALDH1A1PKMHTTNLRP3LMNA
SCHEMBL4202148 0.79 LMNA (0.44) ALDH1A1PKMHTTNLRP3LMNA

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 4/4885PKM 592/4885HTT 494/4885

“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.