SCHEMBL1353510

SCHEMBL1353510

O=C(OCc1cc(COC(=O)c2ccc(O)c(F)c2)cc(COC(=O)c2ccc(O)c(F)c2)c1)c1ccc(O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SNCA P37840 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYBB P04839 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 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
SCHEMBL29395107 0.92 MAPT (0.52) KMT2AMEN1LMNACA12CA1
SCHEMBL662221 0.89 LMNA (0.64) KMT2AMEN1LMNAESR1ESR2
SCHEMBL184993 0.81 CA12 (0.72) KMT2AMEN1LMNACA12CA1
SCHEMBL1353392 0.80 KMT2A (0.51) KMT2AMEN1LMNACA12CA1
SCHEMBL9125713 0.78 SNCA (0.48) KMT2AMEN1LMNACA12CA1
SCHEMBL1356478 0.78 HSD17B2 (0.72) KMT2AMEN1CA12CA1CA2
SCHEMBL17912414 0.76 ESR1 (0.69) LMNACA12CA1CA2CA7
SCHEMBL6693656 0.75 KMT2A (0.64) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL199239 0.75 CA1 (0.69) KMT2AMEN1LMNACA12CA1
SCHEMBL7694628 0.74 KMT2A (0.49) KMT2AMEN1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367545-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY Université Libre de Bruxelles (BE) 2011-09-28 — — EP claimed
WO-2010043631-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY UNIVERSITE LIBRE DE BRUXELLES (BE) 2010-04-22 — — WO claimed
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 — — US disclosed
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 — — US disclosed
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 — — US disclosed
EP-2367545-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY Université Libre de Bruxelles (BE) 2011-09-28 — — EP disclosed
WO-2010043631-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY UNIVERSITE LIBRE DE BRUXELLES (BE) 2010-04-22 — — WO disclosed
WO-2010043631-A1 DI-VANILLOYL AND TRI-VANILLOYL DERIVATIVES FOR USE IN ANTI-CANCER THERAPY UNIVERSITE LIBRE DE BRUXELLES (BE) 2010-04-22 — — 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 (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-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy PSEN2, PSEN1, VHL KMT2A 1383/4885MEN1 2016/4885LMNA 3369/4885

“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.

Send feedback