SCHEMBL9975780

SCHEMBL9975780

CCN1CCC(c2cc(C(C)(C)C)sc2C(=O)OC)=C(C2CCC(C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.39
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
MAPK14 Q16539 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 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
SCHEMBL10383068 0.93 CHRM3 (0.39) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10382837 0.92 CHRM5 (0.37) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10381426 0.90 CHRM2 (0.33) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10382630 0.88 RAF1 (0.41) RAF1MAPK14L3MBTL1TP53MAPK13
SCHEMBL9975791 0.86 CHRM5 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975904 0.85 DGAT2 (0.39) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10366669 0.84 NR1I2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975715 0.84 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10383782 0.83 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975713 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E RAF1 1046/4885CHRM2 2882/4885CHRM4 3864/4885

“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.