SCHEMBL13058478

SCHEMBL13058478

COc1ccc(-c2nc(C3C(=O)[C@@H]4[C@H](C3=O)[C@H]3CC[C@@H]4O3)c(C)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX5 P09917 3/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ APP P05067 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL13058476 0.88 SMN1; SMN2 (0.36) ALDH1A1KDM4ETP53MAPTALOX5
SCHEMBL13058527 0.87 RAB9A (0.36) ALDH1A1TP53MAPTPPARGPPARA
SCHEMBL13058507 0.86 MAPT (0.31) KDM4EMAPTL3MBTL1
SCHEMBL13058493 0.86 KDM4E (0.34) KDM4EMAPTNPC1SMN1; SMN2APP
SCHEMBL13058480 0.86 RAB9A (0.38) ALDH1A1KDM4EMAPTPPARGPPARA
SCHEMBL13058548 0.84 NPC1 (0.40) ALDH1A1KDM4EMAPTPPARGPPARA
SCHEMBL13058543 0.84 FBP1 (0.31) —
SCHEMBL10238024 0.82 ALOX5 (0.41) ALDH1A1KDM4ETP53MAPTHSD17B10
SCHEMBL13058546 0.82 — —
SCHEMBL13058498 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 — — EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 — — WO 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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 ALDH1A1 10/4885KDM4E 1070/4885TP53 3444/4885

“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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