SCHEMBL16231072

SCHEMBL16231072

CCC1=C(C(=O)C(C)C)C(=O)C(C)=C(O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.33
▸ PTGES O14684 2/20 0.32
▸ PTGS1 P23219 1/20 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
SCHEMBL11428233 0.70 FASN (0.39) ALOX5PTGESPTGS1
SCHEMBL23728349 0.64 ALOX5 (0.33) ALOX5PTGESPTGS1
SCHEMBL23728271 0.59 FASN (0.38) ALOX5PTGESPTGS1
SCHEMBL24376288 0.58 ALOX5 (0.39) ALOX5PTGESPTGS1
SCHEMBL24376381 0.58 ALOX5 (0.39) ALOX5PTGESPTGS1
SCHEMBL24376293 0.58 ALOX5 (0.39) ALOX5PTGESPTGS1
SCHEMBL13209242 0.57 CTSD (0.31) —
SCHEMBL24376276 0.56 ALOX5 (0.40) ALOX5PTGESPTGS1
SCHEMBL24376698 0.54 ALDH1A1 (0.58) ALOX5PTGES
SCHEMBL12317966 0.51 PTGES (0.36) ALOX5PTGESPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474270-B2 Methods and compositions for controlling pests Bioprosepect Limited (AU) 2016-10-25 — — US disclosed
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2014-11-13 — — 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-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP ALOX5 271/4885PTGES 153/4885PTGS1 1789/4885

“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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