SCHEMBL13624736

SCHEMBL13624736

CC/C=C\CNC(=O)c1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
EPHX2 P34913 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HCRTR1 O43613 2/20 0.38
METAP2 P50579 1/20 0.38
KMT2A Q03164 3/20 0.38
APEX1 P27695 1/20 0.37
FAAH O00519 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NAAA Q02083 1/20 0.36
GAA P10253 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
SCHEMBL14468624 0.85 HPGD (0.44) HPGDCYP1A2MAPTL3MBTL1ALDH1A1
SCHEMBL10117106 0.82 KMT2A (0.49) TSHRHTTHPGDL3MBTL1ALDH1A1
SCHEMBL14316386 0.81 HPGD (0.51) HTTHPGDCYP1A2MAPTALDH1A1
SCHEMBL14297632 0.81 MAOB (0.43) TSHRHPGDCYP1A2MAPTALDH1A1
SCHEMBL24696326 0.80 TSHR (0.57) TSHRHTTHPGDMAPTL3MBTL1
SCHEMBL13624751 0.78 HTT (0.49) TSHRHTTHPGDMAPTL3MBTL1
SCHEMBL23740293 0.78 ADRA1D (0.48) TSHRHTTHPGDCYP1A2MAPT
SCHEMBL10279067 0.77 LMNA (0.43) TSHRHTTHPGDCYP1A2MAPT
SCHEMBL2665746 0.77 TSHR (0.73) TSHRHTTHPGDMAPTL3MBTL1
SCHEMBL10495305 0.76 HTT (0.41) TSHRHTTHPGDCYP1A2HCRTR1

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-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-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 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 TSHR 3962/4885HTT 2385/4885HPGD 462/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV TSHR 4347/4885HTT 2804/4885HPGD 394/4885

“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.