SCHEMBL10147431

SCHEMBL10147431

CCCc1cccc([C@H](C)C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CTSS P25774 6/20 0.35
CTSK P43235 6/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CYP19A1 P11511 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CXCR4 P61073 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
SCHEMBL9974287 0.86 KCNH2 (0.47) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL9974291 0.83 KCNH2 (0.44) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL10120823 0.83 SYK (0.39) KCNH2NOS1NOS2
SCHEMBL2522650 0.79 KCNH2 (0.67) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL23006785 0.78 IRAK4 (0.38) KCNH2NOS1NOS2CXCR4
SCHEMBL19085083 0.78 CCR1 (0.39) CXCR4
SCHEMBL8250521 0.76 KCNH2 (0.58) KCNH2NOS1NOS2
SCHEMBL13833509 0.75 CCR1 (0.46) NOS2KDM4EALDH1A1HPGDCXCR4
SCHEMBL427622 0.75 KCNH2 (0.52) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL22299565 0.75 CCR1 (0.46) NOS2KDM4EALDH1A1HPGDCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNH2 2968/4885CTSS 721/4885CTSK 1560/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 KCNH2 3034/4885CTSS 695/4885CTSK 1473/4885

“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.