SCHEMBL3281202

SCHEMBL3281202

C=C(C)C1CC1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL9551372 0.88 CHRM2 (0.43) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL12921430 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL974400 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL31285391 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL974399 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL974796 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL1298159 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL8494369 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL10208128 0.80 CHRM2 (0.42) CHRM2CHRM4CHRM3ALDH1A1CHRNB2
SCHEMBL9543687 0.80 CHRM2 (0.42) CHRM2CHRM4CHRM3ALDH1A1CHRNB2

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-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CHRM2 3315/4885CHRM4 3478/4885CHRM3 1331/4885

“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.