SCHEMBL430494

SCHEMBL430494

Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)CC(Cc3cccc(C)n3)C2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCHE P06276 1/20 0.31
▸ TBXA2R P21731 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DPP4 P27487 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
SCHEMBL430457 0.86 PDE4D (0.38) OPRM1KMT2ALMNASMN1; SMN2
SCHEMBL429995 0.83 ELANE (0.30) —
SCHEMBL10326978 0.83 ALDH1A1 (0.38) ACHETBXA2R
SCHEMBL10326776 0.83 ABCB1 (0.38) ACHEMEN1KMT2ALMNA
SCHEMBL10326972 0.82 TBXA2R (0.38) ACHETBXA2RLMNA
SCHEMBL10326979 0.81 ELANE (0.33) LMNA
SCHEMBL430481 0.81 SSTR4 (0.33) ACHEBCHETBXA2R
SCHEMBL10326767 0.80 TBXA2R (0.35) ACHEMEN1KMT2ATBXA2RLMNA
SCHEMBL12948988 0.79 CYP26A1 (0.34) TBXA2R
SCHEMBL987301 0.79 ELANE (0.32) KMT2ATBXA2RLMNA

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 ACHE 19/4885MEN1 4108/4885OPRM1 1564/4885

“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.

Send feedback