SCHEMBL13077790

SCHEMBL13077790

C=C1OC(C)(C)C(=O)C(c2nc(-c3ccccc3)sc2CC)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ GLA P06280 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX5 P09917 3/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL13078054 0.89 PTGDR2 (0.34) L3MBTL1PTGDR2GLA
SCHEMBL13078145 0.86 CDC7 (0.34) —
SCHEMBL13041543 0.85 L3MBTL1 (0.44) L3MBTL1PTGDR2GLAALDH1A1MAPT
SCHEMBL13077793 0.84 RAB9A (0.34) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13078089 0.79 — —
SCHEMBL13077788 0.79 GRM2 (0.33) —
SCHEMBL13078143 0.79 GLA (0.36) GLA
SCHEMBL13078087 0.78 GRM2 (0.32) —
SCHEMBL13078146 0.77 — —
SCHEMBL13041546 0.74 DCK (0.42) PTGDR2MAPTTRPM8KMT2A

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-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 L3MBTL1 3731/4885PTGDR2 865/4885GLA 3973/4885

“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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