SCHEMBL10119370

SCHEMBL10119370

CC(C)CCCCc1cccc(CC(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
LTB4R Q15722 2/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SYK P43405 1/20 0.33
NOS3 P29474 2/20 0.33
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL23140220 0.87 KCNH2 (0.42) KCNH2LTB4RNOS1NOS2NPSR1
SCHEMBL10141737 0.86 KCNH2 (0.56) KCNH2LTB4RNOS1NOS2HIF1A
SCHEMBL6069599 0.84 KCNH2 (0.76) KCNH2LTB4R
SCHEMBL23278570 0.84 KCNH2 (0.63) KCNH2LTB4RNOS1NOS2NPSR1
SCHEMBL3625374 0.82 GABRA1 (0.44) KCNH2NOS1NOS2NPSR1GABRA1
SCHEMBL18924306 0.79 KCNH2 (0.52) KCNH2LTB4RNOS1NOS2NPSR1
SCHEMBL18858526 0.78 KCNH2 (0.48) KCNH2NOS1NOS2NPSR1SYK
SCHEMBL23106424 0.78 KCNH2 (0.41) KCNH2NOS1NOS2NPSR1GABRA1
SCHEMBL19862547 0.76 KCNH2 (0.44) KCNH2NOS1NOS2NOS3
SCHEMBL19862536 0.75 KCNH2 (0.43) KCNH2NOS1NOS2HIF1AEPAS1

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
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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 (2 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNH2 3887/4885LTB4R 1828/4885NOS1 1084/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNH2 3887/4885LTB4R 1828/4885NOS1 1084/4885

“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.