SCHEMBL4299469

SCHEMBL4299469

O=C1CCCC/C1=C\O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.39
RAB9A P51151 4/20 0.38
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
EGFR P00533 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL4299474 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL2225753 0.97
SCHEMBL4105554 0.97
SCHEMBL2225759 0.97
SCHEMBL2945718 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL1843218 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL1843217 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL5241106 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL5583266 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL17585991 0.92

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ ALDH1A1 3885/4885KDM4E 2078/4885MAPT 3830/4885

“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.