SCHEMBL6905536

SCHEMBL6905536

C=CCOc1ccc(C=O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 5/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LIG1 P18858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ERN1 O75460 3/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
MAPT P10636 1/20 0.36
TLR4 O00206 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL5042380 0.85 ERN1 (0.57) TSHRHPGDMAPK1HSD17B10ALDH1A1
SCHEMBL16135175 0.83 ERN1 (0.44) GAAHPGDALDH1A1KDM4EERN1
SCHEMBL5042464 0.79 ALDH1A1 (0.49) TSHRGAAHPGDALDH1A1KDM4E
SCHEMBL3954852 0.78 GAA (0.41) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL29752542 0.76 TSHR (0.45) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL4780536 0.76 HPGD (0.46) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL28495118 0.76 ERN1 (0.59) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL2664412 0.75 CA12 (0.47) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL20136050 0.74 TSHR (0.40) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL28607462 0.74 ALDH1A1 (0.43) TSHRGAAHPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT TSHR 4871/4885GAA 182/4885HPGD 35/4885

“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.