SCHEMBL21025894

SCHEMBL21025894

CO[C@@H]1O[C@@H](O)C2=C[C@@H](OC(C)=O)C3C(C)(C)CCC[C@]3(C)[C@]21O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 3/20 0.47
▸ EDNRA P25101 2/20 0.47
▸ NFKB1 P19838 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PLA2G1B P04054 2/20 0.30

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
SCHEMBL21025698 0.76 EDNRB (0.44) EDNRBEDNRANFKB1STAT1NFKB2
Capsicodendrin SCHEMBL21026188 0.72 EDNRB (0.39) EDNRBEDNRANFKB1STAT1NFKB2
Capsicodendrin SCHEMBL29726673 0.72 EDNRB (0.39) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL21025897 0.69 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL21025700 0.69 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL21025571 0.69 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL15557098 0.69 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamodial SCHEMBL15557354 0.68 EDNRB (0.41) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamodial SCHEMBL20462860 0.68 EDNRB (0.41) EDNRBEDNRANFKB1STAT1NFKB2
SCHEMBL21025572 0.66 EDNRB (0.37) EDNRBEDNRANFKB1STAT1NFKB2

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-20190150437-A1 USE OF SESQUITERPENES AND THEIR ANALOGS AS GREEN INSECTICIDES FOR CONTROLLING DISEASE VECTORS AND PLANT PESTS OHIO STATE INNOVATION FOUNDATION 2019-05-23 — — 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-20190150437-A1 USE OF SESQUITERPENES AND THEIR ANALOGS AS GREEN INSECTICIDES FOR CONTROLLING DISEASE VECTORS AND PLANT PESTS NOTUM, DDT, CYP51A1 EDNRB 4560/4885EDNRA 3352/4885NFKB1 3371/4885

“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.

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