SCHEMBL10120823

SCHEMBL10120823

CC(C)CCc1cccc([C@H](C)C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
ESR1 P03372 7/20 0.37
KCNH2 Q12809 2/20 0.36
ESR2 Q92731 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
MCHR1 Q99705 1/20 0.33
SLC10A2 Q12908 1/20 0.32

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
SCHEMBL12120627 0.87 SYK (0.40) SYKNOS1NOS2NOS3ESR1
SCHEMBL18858526 0.84 KCNH2 (0.48) SYKNOS1NOS2NOS3ESR1
SCHEMBL10147431 0.83 KCNH2 (0.46) NOS1NOS2KCNH2
SCHEMBL18949052 0.82 SYK (0.40) SYKNOS1NOS2NOS3ESR1
SCHEMBL11991705 0.81 NOS2 (0.44) SYKNOS1NOS2NOS3ESR1
SCHEMBL11389831 0.79 NOS1 (0.46) SYKNOS1NOS2NOS3ESR1
SCHEMBL23006785 0.77 IRAK4 (0.38) NOS1NOS2NOS3KCNH2HRH4
SCHEMBL18924412 0.77 KCNH2 (0.52) SYKNOS1NOS2NOS3ESR1
SCHEMBL19085083 0.77 CCR1 (0.39)
SCHEMBL23140220 0.77 KCNH2 (0.42) SYKNOS1NOS2NOS3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 SYK 4501/4885NOS1 2480/4885NOS2 2546/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 SYK 4482/4885NOS1 2511/4885NOS2 2546/4885

“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.