SCHEMBL31384147

SCHEMBL31384147

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
ABCB1 P08183 16/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP2C19 P33261 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
SCHEMBL44567 1.00 NLRP3 (0.43) NLRP3ABCB1OPRM1OPRD1OPRK1
Taxine Ii SCHEMBL30563046 0.80
Taxinine A SCHEMBL30495377 0.80 RAB9A (0.32) ABCB1
SCHEMBL44737 0.72 NLRP3 (0.47) NLRP3ABCB1OPRM1OPRD1OPRK1
Taxuspine F SCHEMBL30602496 0.68 RAB9A (0.31)
SCHEMBL29394113 0.68 ABCB1 (0.31) ABCB1CYP2C19
SCHEMBL44183 0.67 ABCB1 (0.41) NLRP3ABCB1
SCHEMBL29425006 0.66 NLRP3 (0.38) NLRP3ABCB1CYP2C19
Taxagifine SCHEMBL29520283 0.66 ABCB1 (0.40) NLRP3ABCB1CYP2C19
Taxagifine SCHEMBL28964410 0.66 ABCB1 (0.40) NLRP3ABCB1CYP2C19

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-20250000924-A1 Composition for the prevention, improvement or treatment of allergic disease comprising an extract of Taxus cuspidata as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2025-01-02 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-20250000924-A1 Composition for the prevention, improvement or treatment of allergic disease comprising an extract of Taxus cuspidata as an active ingredient SERPINB1, TSLP, CMA1 NLRP3 1715/4885ABCB1 123/4885OPRM1 3684/4885

“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.