SCHEMBL13869331

SCHEMBL13869331

CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3C=O)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
YAP1 P46937 3/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRMT5 O14744 6/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL14367212 0.88 DVL1 (0.36) HDAC1HDAC8HDAC6
SCHEMBL54971 0.87 ALDH1A1 (0.35)
SCHEMBL13841694 0.85 PARP1 (0.38) HDAC1HDAC8HDAC6
SCHEMBL4823115 0.85 PARP1 (0.40) CTSVCTSLHDAC1HDAC8HDAC6
SCHEMBL12620158 0.84 HTR2A (0.37)
SCHEMBL1653832 0.83 GABRA1 (0.35)
SCHEMBL772338 0.80 LNPEP (0.42) CTSVCTSLHDAC1HDAC8HDAC6
SCHEMBL3247052 0.79 PARP1 (0.42)
SCHEMBL2907936 0.78 HTR2A (0.44)
SCHEMBL27693576 0.78 CTSV (0.41) MCHR1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521441-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7521441-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
WO-2007140109-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 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-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCHR1 4333/4885CTSV 181/4885CTSL 2041/4885

“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.