SCHEMBL502772

SCHEMBL502772

COc1cc(-c2ccc(-c3cccc(Br)c3)nc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.47
BRD4 O60885 1/20 0.45
PLK1 P53350 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KIT P10721 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CHEK2 O96017 2/20 0.42
SYK P43405 1/20 0.42
GAK O14976 1/20 0.41

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
SCHEMBL9971233 0.90 FYN (0.52) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL13881650 0.85 TSHR (0.52) FYNBRD4HSD17B1HSD17B2IDO1
SCHEMBL502835 0.84 FYN (0.56) FYNBRD4IDO1TDO2CHEK2
SCHEMBL2448017 0.84 FYN (0.53) FYNBRD4KITTGFBR1CHEK2
SCHEMBL9968588 0.84 FYN (0.47) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL2448859 0.83 KIT (0.58) FYNBRD4KITCHEK2GAK
SCHEMBL9968558 0.83 BRD4 (0.47) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL28965201 0.80 HDAC8 (0.52) BRD4PLK1KITGABRG2GABRB3
SCHEMBL30102577 0.80 HDAC8 (0.52) BRD4PLK1KITGABRG2GABRB3
SCHEMBL17144646 0.78 IDO1 (0.50) FYNBRD4IDO1TDO2SYK

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 15 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-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-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-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
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
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 FYN 4580/4885BRD4 1486/4885PLK1 1475/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO FYN 4662/4885BRD4 1643/4885PLK1 1448/4885

“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.