SCHEMBL6737435

SCHEMBL6737435

CC1=CCCC2(C)OC2C2OC(=O)C(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
GLO1 Q04760 2/20 0.36
NLRP3 Q96P20 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 3/20 0.35
CYP3A4 P08684 3/20 0.35
NFKB1 P19838 2/20 0.35
CYP1A2 P05177 2/20 0.35
STAT6 P42226 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.35
PTGS2 P35354 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6737430 0.89 NLRP3 (0.38) NLRP3ALDH1A1LMNATP53CYP3A4
SCHEMBL6742259 0.83 PKM (0.45) NLRP3ALDH1A1LMNATP53CYP3A4
SCHEMBL15336431 0.70 ALDH1A1 (0.55) NLRP3ALDH1A1LMNATP53CYP3A4
SCHEMBL7741874 0.69 ALDH1A1 (0.56) NLRP3ALDH1A1LMNATP53CYP3A4
Dimethylaminoparthenolide SCHEMBL6741648 0.67 NLRP3 (0.54) NLRP3ALDH1A1LMNATP53CYP3A4
SCHEMBL13433133 0.67 PKM (0.54) NLRP3ALDH1A1LMNATP53CYP3A4
Dimethylaminoparthenolide SCHEMBL16414642 0.67 NLRP3 (0.54) NLRP3ALDH1A1LMNATP53CYP3A4
Dimethylaminoparthenolide SCHEMBL16419384 0.67 NLRP3 (0.54) NLRP3ALDH1A1LMNATP53CYP3A4
Dimethylaminoparthenolide SCHEMBL6741653 0.67 NLRP3 (0.54) NLRP3ALDH1A1LMNATP53CYP3A4
SCHEMBL7081152 0.67 PTGS1 (0.68) PTGS1GSTK1GLO1CYP1A2

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 PTGS1 1117/4885GSTK1 107/4885GLO1 745/4885

“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.