SCHEMBL9968554

SCHEMBL9968554

COc1cc(-c2cnc(-c3cccc(-c4ncc(-c5cc(C)c(C)c(C)c5)nn4)c3)nn2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
NEK2 P51955 2/20 0.41
FYN P06241 7/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MAP3K11 Q16584 1/20 0.39
USP2 O75604 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL9971217 0.92 CTDSP1 (0.47) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL503126 0.84 GABRG2 (0.44) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2474963 0.83 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNEK2FYN
SCHEMBL14973723 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDNEK2FYN
SCHEMBL9968558 0.77 BRD4 (0.47) FYNMAP3K11BMPR1ATGFBR1ACVRL1
SCHEMBL9968556 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL2479831 0.73 ALDH1A1 (0.50) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL13881644 0.71 FYN (0.40) CTDSP1NEK2FYNBMPR1ATGFBR1
SCHEMBL14973495 0.70 KDM4E (0.44) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL14983300 0.70 PDE3B (0.46) KDM4EALDH1A1HPGDNEK2MAP3K11

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 KDM4E 4729/4885ALDH1A1 70/4885HPGD 1428/4885

“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.