SCHEMBL348712

SCHEMBL348712

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(NC(=O)COC(C)=O)c(C)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.59
HDAC1 Q13547 10/20 0.59
HDAC3 O15379 8/20 0.59
HDAC4 P56524 8/20 0.59
HDAC7 Q8WUI4 8/20 0.59
HDAC2 Q92769 8/20 0.59
HDAC10 Q969S8 8/20 0.59
HDAC11 Q96DB2 8/20 0.59
HDAC8 Q9BY41 8/20 0.59
HDAC6 Q9UBN7 8/20 0.59
HDAC9 Q9UKV0 8/20 0.59
HDAC5 Q9UQL6 8/20 0.59
PARP1 P09874 1/20 0.53
IL17A Q16552 1/20 0.52
BRD2 P25440 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
CSNK1G2 P78368 1/20 0.48
BRD3 Q15059 1/20 0.48

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
SCHEMBL348788 0.89 BRD4 (0.63) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL349340 0.86 BRD4 (0.61) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL26241241 0.81 BRD4 (0.68) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL27851658 0.80 BRD4 (0.78) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30433788 0.79 BRD4 (0.66) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL120734 0.79 BRD4 (0.66) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30434379 0.79 BRD4 (0.71) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL120733 0.79 BRD4 (0.71) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL122813 0.79 BRD4 (0.61) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30434539 0.79 BRD4 (0.61) BRD4HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
US-8053440-B2 Compounds for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2011-11-08 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-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC1 510/4885HDAC3 467/4885

“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.