SCHEMBL2448017

SCHEMBL2448017

COc1cc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.53
CHEK2 O96017 2/20 0.51
BRD4 O60885 2/20 0.51
GAK O14976 1/20 0.50
KIT P10721 1/20 0.48
TGFBR1 P36897 1/20 0.48
MAP3K11 Q16584 1/20 0.48
SYK P43405 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
SCHEMBL2448859 0.92 KIT (0.58) FYNCHEK2BRD4GAKKIT
SCHEMBL17144935 0.92 KDM4E (0.53) FYNBRD4GAKKITTGFBR1
SCHEMBL9971233 0.90 FYN (0.52) FYNCHEK2BRD4GAKKIT
SCHEMBL502835 0.90 FYN (0.56) FYNCHEK2BRD4GAKMAP3K11
SCHEMBL13881650 0.85 TSHR (0.52) FYNBRD4GAKKITTGFBR1
SCHEMBL14983301 0.85 PDE5A (0.47) FYNCHEK2BRD4GAKTGFBR1
SCHEMBL502772 0.84 FYN (0.47) FYNCHEK2BRD4GAKKIT
SCHEMBL9968588 0.84 FYN (0.47) FYNCHEK2BRD4GAKKIT
SCHEMBL5206468 0.83 PDGFRB (0.49) FYNBRD4KIT
SCHEMBL17144646 0.83 IDO1 (0.50) FYNBRD4SYK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA 2017-02-16 US claimed
WO-2015153252-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2015-10-08 WO claimed
US-10017475-B2 Anti-vasculature and anti-tubulin combretastatin analogs for treatment of cancer XAVIER UNIVERSITY OF LOUSIANA (US) 2018-07-10 US disclosed
US-10017475-B2 Anti-vasculature and anti-tubulin combretastatin analogs for treatment of cancer XAVIER UNIVERSITY OF LOUSIANA (US) 2018-07-10 US disclosed
US-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA 2017-02-16 US disclosed
US-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA 2017-02-16 US disclosed
WO-2015153252-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2015-10-08 WO disclosed
US-20130137869-A1 LUMINOPHORES UNIVERSITY OF YORK (UK) 2013-05-30 US disclosed
EP-2547748-A1 LUMINOPHORES University of York (GB) 2013-01-23 EP disclosed
WO-2011114095-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2011-09-22 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-20170044103-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER FLT4, TUBB3, TUBA4A FYN 2592/4885CHEK2 1137/4885BRD4 198/4885
US-10017475-B2 Anti-vasculature and anti-tubulin combretastatin analogs for treatment of cancer FLT4, TUBB3, TUBA4A FYN 2592/4885CHEK2 1137/4885BRD4 198/4885

“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.