SCHEMBL6595537

SCHEMBL6595537

COC(=O)c1ccc2cc(-c3oc(=O)c(C)c(O)c3C)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.42
PSMB8 P28062 1/20 0.41
LCK P06239 1/20 0.41
HDAC6 Q9UBN7 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TNKS O95271 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 1/20 0.38
XDH P47989 1/20 0.38
KDM4E B2RXH2 5/20 0.38

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
SCHEMBL6590728 0.91 THRB (0.49) CREBBPPSMB8LCKHDAC6THRB
SCHEMBL6593841 0.86 MIF (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6590563 0.84 CA12 (0.41) CREBBPPSMB8HDAC6HDAC3HDAC1
SCHEMBL6592345 0.81 ALDH1A1 (0.50) POLBCA12CA2CA7CA9
SCHEMBL6593448 0.81 HSD17B3 (0.55) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6594575 0.79 KDM4E (0.45) TP53POLBCA12CA2CA7
SCHEMBL6595218 0.77 MAOB (0.44) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6592197 0.77 MAOB (0.39) TP53CA12CA2CA7CA9
SCHEMBL6597257 0.77 KDM4E (0.50) POLBCA12CA7CA9CA14
SCHEMBL6595885 0.77 TP53 (0.46) TP53POLBCA12CA2CA7

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
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP 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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 CREBBP 741/4885PSMB8 1877/4885LCK 4073/4885

“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.