SCHEMBL6745280

SCHEMBL6745280

C/C1=C/CCC2(C)OC2C2OC(=O)C(CN3CCCCC3)C2CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.52
ALDH1A1 P00352 4/20 0.52
NLRP3 Q96P20 4/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 3/20 0.52
CYP3A4 P08684 3/20 0.52
NFKB1 P19838 2/20 0.52
CYP1A2 P05177 2/20 0.52
STAT6 P42226 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CASP1 P29466 1/20 0.52
PTGS2 P35354 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL6745287 1.00 PKM (0.52) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6741361 1.00 PKM (0.52) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6741373 1.00 PKM (0.52) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6741389 0.99 PKM (0.53) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6741384 0.99 PKM (0.53) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6741730 0.91 PKM (0.51) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6739762 0.91 PKM (0.51) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6741724 0.91 PKM (0.51) PKMALDH1A1NLRP3LMNATP53
SCHEMBL6739767 0.91 PKM (0.51) PKMALDH1A1NLRP3LMNATP53
SCHEMBL7741874 0.84 ALDH1A1 (0.56) PKMALDH1A1NLRP3LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229936-A1 Treatment of hepatitis C virus infection with sesquiterpene lactones HSIEH HSING-PANG (TW) 2004-11-18 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-20040229936-A1 Treatment of hepatitis C virus infection with sesquiterpene lactones HAVCR2, HCCS, ZC3HAV1 PKM 4565/4885ALDH1A1 435/4885NLRP3 2837/4885

“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.