SCHEMBL502835

SCHEMBL502835

COc1cc(-c2ccc(-c3ccccc3)nc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.56
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
PDGFRB P09619 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MAP3K11 Q16584 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CHEK2 O96017 2/20 0.47
BRD4 O60885 1/20 0.47
SYK P43405 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47

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 0.91 FYN (0.52) FYNCHEK2BRD4SYKGAK
SCHEMBL2448017 0.90 FYN (0.53) FYNMAP3K11CHEK2BRD4SYK
SCHEMBL2448859 0.86 KIT (0.58) FYNALDH1A1KDM4EHPGDPDGFRB
SCHEMBL13881650 0.85 TSHR (0.52) FYNIDO1ALDH1A1KDM4EHPGD
SCHEMBL9968588 0.84 FYN (0.47) FYNALDH1A1KDM4EHPGDCHEK2
SCHEMBL502772 0.84 FYN (0.47) FYNIDO1TDO2CHEK2BRD4
SCHEMBL9968558 0.83 BRD4 (0.47) FYNMAP3K11BRD4
SCHEMBL17144935 0.83 KDM4E (0.53) FYNALDH1A1KDM4EHPGDPDGFRB
SCHEMBL28338665 0.81 HPGD (0.61) FYNALDH1A1KDM4EHPGDPDGFRB
SCHEMBL14680829 0.80 IDO1 (0.48) FYNIDO1TDO2ALDH1A1GLA

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 6 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
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
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

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 4580/4885IDO1 375/4885TDO2 386/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO FYN 4662/4885IDO1 599/4885TDO2 273/4885

“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.