SCHEMBL13734752

SCHEMBL13734752

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc4cc(C(=O)OCc5ccccc5)[nH]c34)n(CCCO)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR2 P34972 1/20 0.35
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
TLR7 Q9NYK1 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL3718854 0.92 ADORA1 (0.34) HDAC1HDAC8HDAC6CNR2TSHR
SCHEMBL3725040 0.90 TLR7 (0.33) HDAC1HDAC8HDAC6CNR2TSHR
SCHEMBL3724713 0.79 PKM (0.37) HDAC1HDAC8HDAC6CNR2TSHR
SCHEMBL13769739 0.75 BRD4 (0.36) CNR2CYP3A4ALDH1A1KDM4EHPGD
SCHEMBL13734127 0.74 PRKCA (0.40) HDAC1HDAC8HDAC6CNR2CYP3A4
SCHEMBL3571468 0.73 FABP4 (0.41) HDAC1HDAC8HDAC6CNR2CYP3A4
SCHEMBL3721352 0.72 PDE4D (0.35) HDAC1HDAC8HDAC6TSHRCYP3A4
SCHEMBL769188 0.72 ALDH1A1 (0.40) HDAC1HDAC8HDAC6TSHRCYP3A4
SCHEMBL3726576 0.72 SCN9A (0.37) CYP3A4PRKCAMMP12ALDH1A1KDM4E
SCHEMBL4822208 0.72 HDAC1 (0.41) HDAC1HDAC8HDAC6CNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS HDAC1 303/4885HDAC8 689/4885HDAC6 250/4885

“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.