SCHEMBL9968558

SCHEMBL9968558

COc1cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(C)c(C)c(C)c5)cn4)c3)nc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
FYN P06241 10/20 0.46
KIT P10721 2/20 0.44
MAP3K11 Q16584 2/20 0.43
KDM1A O60341 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
LRRK2 Q5S007 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42

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 0.92 FYN (0.52) BRD4FYNKITHSD17B1HSD17B2
SCHEMBL9968588 0.88 FYN (0.47) BRD4FYNKITHSD17B1HSD17B2
SCHEMBL13881650 0.86 TSHR (0.52) BRD4FYNKITKDM1AHSD17B1
SCHEMBL9968557 0.86 HSD17B1 (0.54) KDM1AHSD17B1HSD17B2
SCHEMBL502835 0.83 FYN (0.56) BRD4FYNMAP3K11
SCHEMBL2448017 0.83 FYN (0.53) BRD4FYNKITMAP3K11TGFBR1
SCHEMBL502772 0.83 FYN (0.47) BRD4FYNKITHSD17B1HSD17B2
SCHEMBL2448859 0.82 KIT (0.58) BRD4FYNKITMAP3K11
SCHEMBL9968554 0.77 KDM4E (0.43) BRD4FYNMAP3K11BMPR1ATGFBR1
SCHEMBL17144935 0.76 KDM4E (0.53) BRD4FYNKITTGFBR1

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 2 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

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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO BRD4 1486/4885FYN 4580/4885KIT 1975/4885

“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.