SCHEMBL428660

SCHEMBL428660

Cc1ccnc(C=C2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ XBP1 P17861 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ F2R P25116 1/20 0.32
▸ MAPK1 P28482 4/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ IKBKB O14920 3/20 0.32
▸ RAF1 P04049 3/20 0.32
▸ RPS6KB1 P23443 3/20 0.32
▸ AKT1 P31749 3/20 0.32
▸ AKT2 P31751 3/20 0.32
▸ KDR P35968 3/20 0.32

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
SCHEMBL430762 0.89 NPC1 (0.32) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL464644 0.88 MAPT (0.48) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL430381 0.88 MAPT (0.48) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL430763 0.86 PROKR1 (0.31) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL427516 0.84 PSEN1 (0.35) MAPKAPK2MAPK14
SCHEMBL427490 0.81 — —
SCHEMBL428552 0.81 SPR (0.30) —
SCHEMBL428614 0.80 MAPT (0.43) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL10280041 0.80 MAPT (0.43) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL430400 0.79 ALDH1A1 (0.37) NPC1ALDH1A1MAPTXBP1RAB9A

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-2997824-A1 NOVEL HERBICIDES Syngenta Participations AG. (CH) 2016-03-23 — — EP disclosed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 — — EP disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 — — US disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 — — US disclosed
US-20120065064-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 — — US disclosed
WO-2010069834-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — 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-20120065064-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP4X1 NPC1 4593/4885ALDH1A1 10/4885MAPT 3792/4885

“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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