SCHEMBL9968588

SCHEMBL9968588

COc1cc(-c2ccc(-c3cccc(-c4ccc(C)cn4)c3)nc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.47
BRD4 O60885 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 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
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHEK2 O96017 1/20 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 0.93 FYN (0.52) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL13881650 0.90 TSHR (0.52) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL9968558 0.88 BRD4 (0.47) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL502835 0.84 FYN (0.56) FYNBRD4KDM4EALDH1A1HPGD
SCHEMBL2448017 0.84 FYN (0.53) FYNBRD4KITTGFBR1CHEK2
SCHEMBL502772 0.84 FYN (0.47) FYNBRD4HSD17B1HSD17B2KIT
SCHEMBL2448859 0.83 KIT (0.58) FYNBRD4KITKDM4EALDH1A1
SCHEMBL14438065 0.79 RAB9A (0.56) FYNBRD4KITKDM4EALDH1A1
SCHEMBL503090 0.79 CYP3A4 (0.63) HSD17B1HSD17B2CYP3A4CYP2A6
SCHEMBL9968572 0.78 KDM4E (0.39) FYNBRD4KITBMPR1ATGFBR1

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 FYN 4580/4885BRD4 1486/4885HSD17B1 1397/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO FYN 4662/4885BRD4 1643/4885HSD17B1 1833/4885

“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.