SCHEMBL428826

SCHEMBL428826

COC1=C(c2c(C)cc(C)cc2C)C(=O)C(Cc2cccc(OC)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.34
▸ HSP90AB1 P08238 4/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TRAP1 Q12931 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MAPK1 P28482 3/20 0.31
▸ MAPK6 Q16659 2/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ TRPM5 Q9NZQ8 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MDM2 Q00987 2/20 0.31
▸ SYK P43405 2/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 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
SCHEMBL430485 0.83 PDE4D (0.46) PDE4DSYKBCHEACHE
SCHEMBL429852 0.79 MAPT (0.32) —
SCHEMBL430494 0.76 ACHE (0.34) BCHEACHE
SCHEMBL430752 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1KDM1AMAOAMAOB
SCHEMBL14992682 0.75 PDE4D (0.45) PDE4DCYP19A1TP53SYKBCHE
SCHEMBL987300 0.75 ACHE (0.38) CYP19A1BCHEACHE
SCHEMBL430460 0.75 HCRTR1 (0.35) —
SCHEMBL428510 0.74 CNR1 (0.39) MAPK1
SCHEMBL15001740 0.73 PDE4D (0.45) PDE4DTP53BCHEACHE
SCHEMBL429999 0.73 ACHE (0.33) ACHE

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 HSP90AA1 818/4885HSP90AB1 737/4885KDM1A 228/4885

“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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