SCHEMBL427502

SCHEMBL427502

COc1cccc(C=C2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.40
▸ HSP90AA1 P07900 3/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TRAP1 Q12931 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL428636 0.86 — —
SCHEMBL430400 0.86 ALDH1A1 (0.37) TGFBR1ALDH1A1MEN1NPC1RAB9A
SCHEMBL427471 0.84 PBRM1 (0.32) —
SCHEMBL428575 0.81 TERT (0.32) —
SCHEMBL464644 0.80 MAPT (0.48) HSP90AA1ALDH1A1MEN1NPC1RAB9A
SCHEMBL430381 0.80 MAPT (0.48) HSP90AA1ALDH1A1MEN1NPC1RAB9A
SCHEMBL429940 0.79 PIM1 (0.40) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL428660 0.75 NPC1 (0.34) HSP90AA1ALDH1A1MEN1NPC1RAB9A
SCHEMBL428552 0.74 SPR (0.30) —
SCHEMBL427490 0.74 — —

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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