SCHEMBL10237938

SCHEMBL10237938

COc1ccc(-c2nc(C3C(=O)[C@@H]4CC[C@@H](C4)C3=O)c(C)s2)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.40
▸ MTOR P42345 6/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIP5K1C O60331 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL10237932 0.85 PIK3CA (0.37) PIK3CAPIK3CD
SCHEMBL10238024 0.84 ALOX5 (0.41) —
SCHEMBL10237919 0.81 RAB9A (0.38) —
SCHEMBL16215985 0.79 AOC3 (0.36) —
SCHEMBL10238040 0.79 AOC3 (0.36) —
SCHEMBL10238020 0.79 PTGS2 (0.41) —
SCHEMBL10237934 0.79 RAB9A (0.40) —
SCHEMBL10237930 0.79 NPC1 (0.34) —
SCHEMBL10237965 0.79 RARA (0.31) —
SCHEMBL10238017 0.78 ALDH1A1 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC PIK3CA 2606/4885MTOR 3283/4885CYP19A1 293/4885

“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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