SCHEMBL16398208

SCHEMBL16398208

C#CCC1CC(=O)C(c2c(Cl)cc(-c3ccc(Cl)cc3)cc2OC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.35
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 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
SCHEMBL20392659 1.00 ERN1 (0.35) ERN1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL17734387 0.92 HTR2C (0.33) CYP1A1CYP1A2CYP1B1KDM4EPDE4B
SCHEMBL20392604 0.92 HTR2C (0.33) CYP1A1CYP1A2CYP1B1KDM4EPDE4B
SCHEMBL17734392 0.91 PTGS2 (0.33) ERN1ALDH1A1
SCHEMBL20392797 0.91 PTGS2 (0.33) ERN1ALDH1A1
SCHEMBL17734393 0.90 ERN1 (0.34) ERN1CYP1A1CYP1A2CYP1B1CA1
SCHEMBL20392662 0.90 ERN1 (0.34) ERN1CYP1A1CYP1A2CYP1B1CA1
SCHEMBL17734390 0.86 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1HCRTR1HCRTR2
SCHEMBL16398611 0.84 AHR (0.31) —
SCHEMBL17734408 0.83 ALDH1A1 (0.31) ALDH1A1HPGD

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 ERN1 2026/4885CYP1A1 54/4885CYP1A2 162/4885
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, HDHD5, CNPY2 ERN1 2026/4885CYP1A1 54/4885CYP1A2 162/4885

“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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