Dehydrosaussurealactone

Dehydrosaussurealactone

SCHEMBL14215829

C=C[C@]1(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.46
NLRP3 Q96P20 2/20 0.46
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
NFKB1 P19838 2/20 0.39
CYP1A2 P05177 2/20 0.39
STAT6 P42226 2/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 2/20 0.39
CASP1 P29466 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL4998367 0.76 RECQL (0.48) ALDH1A1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL14355529 0.76 KDM1A (0.39) KDM1A
SCHEMBL27949123 0.76 RECQL (0.48) ALDH1A1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL14215828 0.76 NLRP3 (0.37) NLRP3KDM1A
SCHEMBL18334098 0.69 PKM (0.51) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL31379748 0.69 KDM1A (0.49) PKMNLRP3CYP3A4MAPTPTGS2
SCHEMBL30463131 0.68 PKM (0.47) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL17147754 0.68 PKM (0.55) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL17147746 0.68 PKM (0.55) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL29935069 0.67 PKM (0.48) PKMNLRP3ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114668789-A Application of costustoot essential oil in preparation of medicine or health product for treating brain cancer 昆明理工大学 2022-06-28 CN disclosed
US-20080124772-A1 Plant enzymes for bioconversion PLANT RESEARCH INTERNATIONAL B.V. 2008-05-29 US disclosed
US-20070300327-A1 Plant enzymes for bioconversion PLANT RESEARCH INTERNATIONAL B.V. 2007-12-27 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-20080124772-A1 Plant enzymes for bioconversion STS, SQLE, CYP51A1 PKM 1288/4885NLRP3 4574/4885ALDH1A1 479/4885

“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.