SCHEMBL15340522

SCHEMBL15340522

COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)c(OC)c2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
GSK3B P49841 3/20 0.47
JUN P05412 2/20 0.45
NFKB1 P19838 1/20 0.45
BACE1 P56817 2/20 0.45
FOS P01100 1/20 0.42
PSMB5 P28074 1/20 0.41
GLO1 Q04760 1/20 0.41
MAPT P10636 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL15340526 1.00 HDAC1 (0.49) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15340525 1.00 HDAC1 (0.49) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15344037 0.91 GSK3B (0.54) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15344038 0.91 GSK3B (0.54) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15344036 0.91 GSK3B (0.54) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15340537 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15340538 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15340536 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC8PTGS1PTGS2
SCHEMBL15340503 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC8PTGS2GSK3B
SCHEMBL15340504 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC8PTGS2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 US 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 HDAC1 2348/4885HDAC2 1662/4885HDAC8 2839/4885

“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.