SCHEMBL13611366

SCHEMBL13611366

CCCCN/C=C1\C=C(O)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
APAF1 O14727 1/20 0.47
PTPN1 P18031 2/20 0.38
IDO1 P14902 2/20 0.37
SOAT1 P35610 9/20 0.37
S100A4 P26447 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
PGAM1 P18669 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ASAH1 Q13510 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7234454 1.00 ALDH1A1 (0.47) ALDH1A1APAF1PTPN1IDO1SOAT1
SCHEMBL4300496 1.00 ALDH1A1 (0.47) ALDH1A1APAF1PTPN1IDO1SOAT1
SCHEMBL20230447 0.78 ALDH1A1 (0.40) ALDH1A1APAF1PTPN1SOAT1S100A4
SCHEMBL20230420 0.74 ALDH1A1 (0.43) ALDH1A1APAF1PTPN1IDO1SOAT1
Anthraquinone SCHEMBL27601272 0.65 MEN1 (0.63) ALDH1A1APAF1PTPN1SOAT1S100A4
Anthraquinone SCHEMBL27605254 0.63 PTPN1 (0.61) ALDH1A1APAF1PTPN1SOAT1S100A4
SCHEMBL14342825 0.63 ALDH1A1 (0.49) ALDH1A1APAF1IDO1MAPTKDM4E
SCHEMBL21814444 0.63 ALDH1A1 (0.79) ALDH1A1APAF1PTPN1SOAT1S100A4
SCHEMBL30587685 0.63 ALDH1A1 (0.79) ALDH1A1APAF1PTPN1SOAT1S100A4
SCHEMBL13875721 0.62 GRIN1 (0.67) ALDH1A1MAPTHPGDTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 ALDH1A1 1045/4885APAF1 974/4885PTPN1 3701/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV ALDH1A1 1038/4885APAF1 730/4885PTPN1 4034/4885

“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.