SCHEMBL9968559

SCHEMBL9968559

Oc1cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(O)c(O)c(O)c5)cn4)c3)nc2)cc(O)c1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.64
HSD17B2 P37059 4/20 0.64
APP P05067 1/20 0.44
HPGDS O60760 1/20 0.42
KDM1A O60341 3/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
FYN P06241 3/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 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
SCHEMBL502943 0.89 HSD17B1 (0.54) HSD17B1HSD17B2HPGDSIDO1TDO2
SCHEMBL14983294 0.87 HSD17B1 (0.51) HSD17B1HSD17B2APPKDM1AKDM4E
SCHEMBL14973541 0.84 HSD17B1 (0.51) HSD17B1HSD17B2KDM1ANPC1RAB9A
SCHEMBL13910991 0.79 HSD17B1 (0.63) HSD17B1HSD17B2HPGDSKDM4ENPC1
SCHEMBL1181050 0.78 HSD17B1 (1.00) HSD17B1HSD17B2KDM1AFYNESR1
SCHEMBL12957239 0.77 HSD17B1 (0.67) HSD17B1HSD17B2HPGDSNPC1RAB9A
SCHEMBL12129605 0.75 HSD17B1 (0.59) HSD17B1HSD17B2MEN1
SCHEMBL9968557 0.75 HSD17B1 (0.54) HSD17B1HSD17B2HPGDSKDM1AKDM4E
SCHEMBL22040656 0.75 HSD17B1 (0.53) HSD17B1HSD17B2HPGDSNPC1RAB9A
SCHEMBL12956772 0.75 HSD17B1 (0.53) HSD17B1HSD17B2HPGDSNPC1RAB9A

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 9 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-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-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-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
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US 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 1757/4885APP 4177/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO HSD17B1 1833/4885HSD17B2 1857/4885APP 4181/4885

“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.