SCHEMBL9920546

SCHEMBL9920546

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc(Oc4ccc5c(c4)-c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4C5)ccc2C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
PDK2 Q15119 1/20 0.33
PDGFRB P09619 1/20 0.33
EIF2AK2 P19525 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL12879656 0.88 KDM4E (0.38) MAOAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL12219219 0.88 KDM4E (0.38) MAOAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL10144709 0.88 ALDH1A1 (0.47) MAOBKDM4EALDH1A1HPGDCYP3A4
SCHEMBL13138261 0.86 ALDH1A1 (0.43) MAOBKDM4EALDH1A1HPGDCYP3A4
SCHEMBL12879646 0.81 ACHE (0.42) MAOBKDM4EALDH1A1HPGDCYP3A4
SCHEMBL12879655 0.80 ESR1 (0.40) MAOAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL13138267 0.78 METAP1 (0.42) KDM4EALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL9920565 0.77 BCL2 (0.36) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL13138273 0.77 ALDH1A1 (0.42) MAOAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL30210980 0.77 ALDH1A1 (0.42) MAOAKDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-20170025626-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2017-01-26 US disclosed
US-9487548-B2 Metal complexes comprising diazabenzimidazolocarbene ligands and the use thereof in OLEDs UDC IRELAND LIMITED (IE) 2016-11-08 US disclosed
US-9458182-B2 Silyl- and heteroatom-substituted compounds selected from carbazoles, dibenzofurans, dibenzothiophenes and dibenzophospholes, and use thereof in organic electronics BASF SE (DE) 2016-10-04 US disclosed
US-8691401-B2 Bridged benzimidazole-carbene complexes and use thereof in OLEDS BASF SE (DE) 2014-04-08 US disclosed
US-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2013-02-07 US disclosed
US-8362246-B2 Bispyrimidines for electronic applications BASF SE (DE) 2013-01-29 US disclosed
US-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-06-14 US disclosed
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-19 US disclosed
US-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS BASF SE (DE) 2011-10-20 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 (6 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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS MAOA 1525/4885MAOB 972/4885KDM4E 1622/4885
US-20130032766-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOLOCARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, DRD2 MAOA 1765/4885MAOB 550/4885KDM4E 4587/4885
US-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS CCND1, DRD2, CCND2 MAOA 271/4885MAOB 27/4885KDM4E 3589/4885
US-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 MAOA 1877/4885MAOB 581/4885KDM4E 4573/4885
US-20170025626-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 MAOA 1877/4885MAOB 581/4885KDM4E 4573/4885
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 MAOA 1501/4885MAOB 477/4885KDM4E 2857/4885

“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.