SCHEMBL6452840

SCHEMBL6452840

COc1ccc(OCc2ccccc2)c(C=CC(=O)N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.67
HDAC8 Q9BY41 2/20 0.60
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGER4 P35408 3/20 0.49
PTGER2 P43116 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
PTGER1 P34995 2/20 0.49
PTGER3 P43115 2/20 0.49
PTPN1 P18031 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
SCHEMBL6036142 0.88 HDAC8 (0.65) HDAC8LTB4RLTB4R2JUNNFKB1
SCHEMBL6036139 0.88 HDAC8 (0.65) HDAC8LTB4RLTB4R2JUNNFKB1
SCHEMBL7272006 0.79 CDK4 (0.68) HDAC8PTGER4PTGER2KDM4EPTGER1
SCHEMBL7272001 0.79 CDK4 (0.68) HDAC8PTGER4PTGER2KDM4EPTGER1
SCHEMBL344657 0.79 PTGER3 (0.68) HDAC8LTB4RLTB4R2PTGER4PTGER2
SCHEMBL344658 0.79 PTGER3 (0.68) HDAC8LTB4RLTB4R2PTGER4PTGER2
SCHEMBL2573994 0.79 TUBB1 (0.57) HDAC8KDM4EALDH1A1
SCHEMBL6035013 0.78 HDAC8 (0.80) HDAC8PTGER4PTGER2KDM4EALDH1A1
SCHEMBL6035015 0.78 HDAC8 (0.80) HDAC8PTGER4PTGER2KDM4EALDH1A1
SCHEMBL4031129 0.77 KDM4E (0.65) HDAC8LTB4RLTB4R2PTGER4PTGER2

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC APP 3925/4885HDAC8 1077/4885LTB4R 535/4885

“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.