SCHEMBL16398857

SCHEMBL16398857

COC1=C(c2cc(-c3ccc(Cl)cc3)ccc2C)C(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 11/20 0.47
▸ ACACA Q13085 11/20 0.47
▸ ALKBH3 Q96Q83 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MET P08581 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ MST1R Q04912 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ CAMK1D Q8IU85 1/20 0.38
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTGS1 P23219 2/20 0.34

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
SCHEMBL12119027 0.84 HSD17B1 (0.38) ACACBACACAALKBH3JAK2NTRK1
SCHEMBL20392733 0.78 ACACB (0.42) ACACBACACAJAK2NTRK1MET
SCHEMBL1160583 0.78 MAPT (0.37) TP53MAPTPTGS1PTGS2
SCHEMBL16398712 0.77 S100A4 (0.34) GSK3BPTGS1PTGS2
SCHEMBL16398123 0.76 ERN1 (0.41) PTGS1PTGS2
SCHEMBL16398521 0.74 ACACB (0.44) ACACBACACAALKBH3JAK2NTRK1
SCHEMBL11940747 0.73 ACACB (0.54) ACACBACACAJAK2NTRK1MET
SCHEMBL16399022 0.73 PTGS2 (0.42) PTGS1PTGS2TDP2
SCHEMBL18971353 0.72 ACACB (0.45) ACACBACACAALKBH3JAK2NTRK1
SCHEMBL17012032 0.71 ACACB (0.43) ACACBACACAABCB1

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
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 — — US disclosed
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 — — US disclosed
EP-3004063-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-07-18 — — EP disclosed
EP-3004063-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-07-18 — — EP disclosed
US-20160128326-A1 Herbicidally Active 2-(Substituted-Phenyl)-Cyclopentane-1,3-Dione Compounds and Derivatives Thereof SYNGENTA LIMITED (GB) 2016-05-12 — — US disclosed
US-20160128326-A1 Herbicidally Active 2-(Substituted-Phenyl)-Cyclopentane-1,3-Dione Compounds and Derivatives Thereof SYNGENTA LIMITED (GB) 2016-05-12 — — US disclosed
EP-3004063-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF Syngenta Limited (GB) 2016-04-13 — — EP disclosed
WO-2014195327-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2014-12-11 — — 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 (2 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-20160128326-A1 Herbicidally Active 2-(Substituted-Phenyl)-Cyclopentane-1,3-Dione Compounds and Derivatives Thereof DDT, HDHD5, CNPY2 ACACB 3843/4885ACACA 3622/4885ALKBH3 118/4885
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, HDHD5, CNPY2 ACACB 3843/4885ACACA 3622/4885ALKBH3 118/4885

“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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