SCHEMBL1355587

SCHEMBL1355587

COc1ccc(C(=O)OCCCCCCOC(=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.77
MAPT P10636 3/20 0.67
TSHR P16473 3/20 0.67
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA7 P43166 1/20 0.61
TPMT P51580 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
CYP3A4 P08684 4/20 0.58

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
SCHEMBL11245183 0.95 HDAC6 (0.69) HDAC6MAPTTSHRCA12CA1
Dodecyl 3,4-Dimethoxybenzoate SCHEMBL7801796 0.94 HDAC6 (0.69) HDAC6MAPTTSHRKDM4EPOLB
SCHEMBL20918131 0.94 HDAC6 (0.69) HDAC6MAPTTSHRKDM4EPOLB
SCHEMBL7959660 0.93 HDAC6 (0.68) HDAC6MAPTTSHRCA12CA1
SCHEMBL11493630 0.93 HDAC6 (0.68) HDAC6MAPTTSHRCA12CA1
SCHEMBL27516230 0.92 HDAC6 (0.67) HDAC6MAPTTSHRCA12CA1
SCHEMBL11245864 0.91 MAPT (0.73) HDAC6MAPTTSHRCA12CA1
SCHEMBL7956506 0.91 HDAC6 (0.65) HDAC6MAPTTSHRCA12CA1
SCHEMBL11488776 0.91 HDAC6 (0.65) HDAC6MAPTTSHRCA12CA1
SCHEMBL11493970 0.91 HDAC6 (0.65) HDAC6MAPTTSHRCA12CA1

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
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 US claimed
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
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 HDAC6 937/4885MAPT 42/4885TSHR 4742/4885

“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.