SCHEMBL5851328

SCHEMBL5851328

O=C(O)CCC(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CCKBR P32239 4/20 0.46
FLT3 P36888 1/20 0.46
AOC3 Q16853 2/20 0.46
IDO1 P14902 1/20 0.45
DRD2 P14416 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CHRM1 P11229 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8661426 0.88 KDM4E (0.46) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL10759696 0.86 ALOX5 (0.51) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL1161989 0.79 ALOX5 (0.45) ALOX5KDM4EHPGDALDH1A1GAA
SCHEMBL27831047 0.79 ALOX5 (0.50) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL518794 0.79 ALOX5 (0.50) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL7647686 0.79 CCKBR (0.39) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL11904769 0.78 DRD2 (0.47) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL9316695 0.77 GABBR2 (0.53) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL30508997 0.77 ALOX5 (0.54) ALOX5KDM4EMAPTDAOHPGD
SCHEMBL8003423 0.77 ALOX5 (0.54) ALOX5KDM4EMAPTDAOHPGD

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-20060211759-A1 Bis-heterocyclic compounds with antitumour and chemosensitising activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-09-21 US disclosed
US-7084166-B2 Bis-heterocyclic compounds with antitumour and chemosensitising activity SIGMA-TAU INDUSTRIE FARMACEUTICHEE RIUNITE S.P.A. (IT) 2006-08-01 US disclosed
US-20040053987-A1 Bis-heterocyclic compounds with antitumour and chemosensitising activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-03-18 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 (2 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-20060211759-A1 Bis-heterocyclic compounds with antitumour and chemosensitising activity ABCC1, MCL1, DPYD ALOX5 1785/4885KDM4E 4063/4885MAPT 4619/4885
US-20040053987-A1 Bis-heterocyclic compounds with antitumour and chemosensitising activity ABCC1, TOP1, CHEK1 ALOX5 2065/4885KDM4E 3651/4885MAPT 4706/4885

“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.