SCHEMBL1194744

SCHEMBL1194744

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 4/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 2/20 0.32
CCR5 P51681 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDK1 Q15118 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 2/20 0.31
THRB P10828 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
SCHEMBL29380873 1.00 CYP19A1 (0.35) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL23781890 0.89 CYP19A1 (0.35) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL23781985 0.86 MAPK1 (0.38) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL29028906 0.84 CYP19A1 (0.36) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL1244265 0.84 SMN1; SMN2 (0.33) MAPTHTTLMNASMN1; SMN2TSHR
SCHEMBL29620290 0.83 CYP19A1 (0.36) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL482809 0.83 POLB (0.35) HTTLMNASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL23781937 0.82
SCHEMBL29365624 0.81 MAPT (0.32) MAPT
SCHEMBL135939 0.81 MAPT (0.32) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed
CN-111334219-B Release film for electronic optical adhesive and preparation method thereof 东莞市鼎力薄膜科技有限公司 2022-05-20 CN disclosed
US-20220032279-A1 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2022-02-03 US disclosed
EP-3894074-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO Deutschland GmbH (DE) 2021-10-20 EP disclosed
CN-111334219-A Release film for electronic optical adhesive and preparation method thereof 东莞市鼎力薄膜科技有限公司 2020-06-26 CN disclosed
WO-2020120207-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2020-06-18 WO disclosed
US-7884128-B2 reacting 11-{[tert-butyl(dimethyl)silyl]oxy}-7-[(E)-2-formyl-1-methyleth-1-en-1-yl]-6,13a-dimethyl-2-phenyl-3a,6,7,10,11,12,13,13a-octahydro-9H-[1,3]dioxolo[4,5-f]oxacyclododecin-9-one with 2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propyl}oxiran-2-yl)pentane-3-ol, to form pladienolide analogues EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-08 US disclosed
US-7816401-B2 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 US disclosed
EP-1935893-A1 TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D Eisai R&D Management Co., Ltd. (JP) 2008-06-25 EP disclosed
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. 2008-01-24 US 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-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD CYP19A1 188/4885DRD2 284/4885ADRA1D 1402/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD CYP19A1 100/4885DRD2 560/4885ADRA1D 1229/4885

“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.