SCHEMBL430457

SCHEMBL430457

Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)CC(Cc3ccccn3)C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.38
▸ IKBKB O14920 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ NEK1 Q96PY6 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ RASGRP3 Q8IV61 1/20 0.31

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
SCHEMBL15001751 0.90 PDE4D (0.36) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL16203990 0.89 PDE4D (0.35) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL18022707 0.88 PDE4D (0.36) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL429995 0.87 ELANE (0.30) —
SCHEMBL430489 0.87 PDE4D (0.40) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL430494 0.86 ACHE (0.34) KMT2ASMN1; SMN2OPRM1LMNA
SCHEMBL430481 0.86 SSTR4 (0.33) —
SCHEMBL15001220 0.86 PDE4D (0.38) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL18022718 0.86 PDE4D (0.37) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL15001792 0.86 PDE4D (0.37) PDE4DIKBKBPRKAG1PRKAA1NEK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
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 PDE4D 1536/4885IKBKB 4311/4885PRKAG1 3397/4885

“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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