SCHEMBL3366969

SCHEMBL3366969

COc1cc(C(=O)OCCCCCCCCOC(=O)c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 1.00
KDM4E B2RXH2 1/20 0.78
POLB P06746 1/20 0.78
HSD17B2 P37059 1/20 0.72
HTT P42858 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
RAB9A P51151 2/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
ESR1 P03372 3/20 0.55
CYP1A2 P05177 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
BLM P54132 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL31550983 1.00 HDAC6 (1.00) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL1354864 1.00 HDAC6 (1.00) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL1355731 1.00 HDAC6 (1.00) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL1354888 1.00 HDAC6 (1.00) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL1354918 0.98 HDAC6 (0.97) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL1354950 0.95 HDAC6 (0.91) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL25222933 0.94 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL1025800 0.94 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL11241662 0.94 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2HTT
SCHEMBL11222190 0.94 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083884-A1 STABILIZERS BASED ON SYRINGIC ACID, VANILLIC ACID, ISOVANILLIC ACID OR 5-HYDROXYVERATRIC ACID, PLASTIC COMPOSITION, METHOD FOR STABILIZING A PLASTIC COMPOSITION AND STABILIZER COMPOSITION Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-05-19 WO disclosed
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 US 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 937/4885KDM4E 1847/4885POLB 940/4885

“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.