SCHEMBL430812

SCHEMBL430812

COC1=C(c2c(C)cc(C)cc2C)C(=O)/C(=C/c2cccc(OC)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.40
▸ HSP90AA1 P07900 3/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRAP1 Q12931 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL14993478 0.76 NPC1 (0.46) HSP90AA1MEN1NPC1RAB9AKMT2A
SCHEMBL14993477 0.76 NPC1 (0.46) HSP90AA1MEN1NPC1RAB9AKMT2A
SCHEMBL427502 0.73 IDH1 (0.40) IDH1HSP90AA1HSP90AB1MEN1NPC1
SCHEMBL987777 0.71 EGFR (0.34) —
SCHEMBL987775 0.71 EGFR (0.34) —
SCHEMBL14993361 0.67 NPC1 (0.44) HSP90AA1MEN1NPC1RAB9AKMT2A
SCHEMBL14993363 0.67 NPC1 (0.44) HSP90AA1MEN1NPC1RAB9AKMT2A
SCHEMBL428826 0.66 HSP90AA1 (0.34) HSP90AA1HSP90AB1TRAP1
SCHEMBL31597612 0.64 ACHE (0.52) MEN1NPC1RAB9AKMT2A
SCHEMBL17547643 0.64 MAOB (0.47) IDH1NPC1RAB9A

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 7 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
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 IDH1 34/4885HSP90AA1 818/4885HSP90AB1 737/4885

“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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