SCHEMBL4459419

SCHEMBL4459419

COc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.75
▸ GLA P06280 1/20 0.75
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOA P21397 3/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ MAPT P10636 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
Vadimezan SCHEMBL29356696 0.86 STING1 (1.00) STING1GLAMEN1KMT2AKDM4E
Vadimezan SCHEMBL29363732 0.86 STING1 (1.00) STING1GLAMEN1KMT2AKDM4E
Vadimezan SCHEMBL111183 0.86 STING1 (1.00) STING1GLAMEN1KMT2AKDM4E
SCHEMBL20763280 0.85 STING1 (0.72) STING1GLAMEN1KMT2AKDM4E
SCHEMBL20762991 0.85 STING1 (0.79) STING1GLAMEN1KMT2AKDM4E
Vadimezan SCHEMBL4282930 0.85 STING1 (0.97) STING1GLAMEN1KMT2AKDM4E
Vadimezan SCHEMBL4282923 0.85 STING1 (0.97) STING1GLAMEN1KMT2AKDM4E
SCHEMBL20762998 0.84 STING1 (0.77) STING1GLAMEN1KMT2AKDM4E
SCHEMBL20762931 0.82 STING1 (0.75) STING1GLAMEN1KMT2AKDM4E
SCHEMBL9381286 0.81 STING1 (0.78) STING1GLAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062377-A1 ANTI-CANCER COMBINATIONS CANCER RESEARCH TECHNOLOGY LIMITED 2009-03-05 — — US disclosed
US-7462642-B2 Anti-cancer combinations CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-12-09 — — US disclosed
US-20050131059-A1 Synergistic mixture of 5,6-dimethylxanthenone and diclofenac CANCER RESEARCH TECHNOLOGY LIMITED 2005-06-16 — — US disclosed
EP-1487433-A1 ANTI-CANCER COMBINATIONS OF DMXAA AND A NSAID Cancer Research Technology Limited (GB) 2004-12-22 — — EP disclosed
WO-2003080044-A1 ANTI-CANCER COMBINATIONS OF DMXAA AND A NSAID CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-10-02 — — 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-20050131059-A1 Synergistic mixture of 5,6-dimethylxanthenone and diclofenac ANXA5, ANXA1, ANXA7 STING1 2530/4885GLA 1437/4885MEN1 1611/4885
US-20090062377-A1 ANTI-CANCER COMBINATIONS ANXA5, ANXA1, ANXA7 STING1 2853/4885GLA 811/4885MEN1 1443/4885

“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.

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