SCHEMBL502943

SCHEMBL502943

Oc1cc(-c2ccc(-c3ccccc3)nc2)cc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
LDHA P00338 1/20 0.47
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
HPGDS O60760 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
ALOX5 P09917 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
NTSR1 P30989 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
FYN P06241 1/20 0.40
PTPN2 P17706 1/20 0.40
DYRK1A Q13627 1/20 0.39

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
SCHEMBL9968559 0.89 HSD17B1 (0.64) HSD17B1HSD17B2IDO1TDO2HPGDS
SCHEMBL14973541 0.87 HSD17B1 (0.51) HSD17B1HSD17B2ALOX5MEN1NTSR1
SCHEMBL14983294 0.84 HSD17B1 (0.51) HSD17B1HSD17B2ALOX5KDM4EDYRK1A
SCHEMBL12973036 0.82 HPGDS (0.60) HSD17B1HSD17B2LDHAHPGDSCYP11B1
SCHEMBL25118611 0.80 HPGDS (0.58) HSD17B1HSD17B2LDHAHPGDSCYP11B1
SCHEMBL913315 0.80 HPGDS (0.58) HSD17B1HSD17B2LDHAHPGDSCYP11B1
SCHEMBL29578423 0.80 HPGDS (0.58) HSD17B1HSD17B2LDHAHPGDSCYP11B1
SCHEMBL12523550 0.80 HPGDS (0.58) HSD17B1HSD17B2LDHAHPGDSCYP11B1
SCHEMBL903715 0.80 HPGDS (0.58) HSD17B1HSD17B2LDHAHPGDSCYP11B1
SCHEMBL12956772 0.79 HSD17B1 (0.53) HSD17B1HSD17B2LDHAHPGDSCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
EP-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 WO 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO HSD17B1 1397/4885HSD17B2 1757/4885LDHA 240/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO HSD17B1 1833/4885HSD17B2 1857/4885LDHA 217/4885

“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.