SCHEMBL8788341

SCHEMBL8788341

COCOc1ccc2c(=O)c(I)coc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
ALDH2 P05091 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL2109107 0.84 RAB9A (0.61) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL2912377 0.81 ALDH2 (0.66) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL16445598 0.80 RAB9A (0.37) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL27857218 0.77 ALDH1A1 (0.64) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL16445612 0.75 MAPT (0.44) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL17868290 0.75 MAPT (0.47) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL8787469 0.75 MAPT (0.50) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL8787173 0.74 KDM4E (0.60) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL8787466 0.74 MAOB (0.44) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL31254040 0.73 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9AMAOA

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-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 US disclosed
US-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 US disclosed
WO-2015021226-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-12 WO disclosed
CN-102241657-A Synthesis of isoflavone compound through Stille crossed coupling reaction UNIV SHAANXI NORMAL 2011-11-16 CN disclosed
US-5698575-A Chromone compounds, pharmaceutical compositions containing the same, and use of the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758649-A1 Chromone derivative, process for preparing same and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-02-19 EP 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-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF VAT1, NQO1, VARS1 MEN1 1749/4885KMT2A 2453/4885MAPT 1736/4885

“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.