SCHEMBL9920565

SCHEMBL9920565

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc(Sc4ccc5c(c4)-c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4C5)ccc2C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
SRD5A2 P31213 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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) MAOASRD5A2KDM4ENPC1ALDH1A1
SCHEMBL12219219 0.88 KDM4E (0.38) MAOASRD5A2KDM4ENPC1ALDH1A1
SCHEMBL10144710 0.88 CHRM1 (0.37) SRD5A2KDM4ENPC1ALDH1A1LMNA
SCHEMBL12879655 0.80 ESR1 (0.40) MAOASRD5A2KDM4ENPC1ALDH1A1
SCHEMBL9920546 0.77 MAOA (0.35) MAOAMAOBSRD5A2KDM4ENPC1
SCHEMBL13138273 0.77 ALDH1A1 (0.42) MAOASRD5A2KDM4ENPC1ALDH1A1
SCHEMBL12879658 0.77 ALDH1A1 (0.42) MAOASRD5A2KDM4ENPC1ALDH1A1
SCHEMBL30210980 0.77 ALDH1A1 (0.42) MAOASRD5A2KDM4ENPC1ALDH1A1
SCHEMBL12879669 0.77 PNMT (0.38) SRD5A2KDM4ENPC1ALDH1A1LMNA
SCHEMBL13138261 0.76 ALDH1A1 (0.43) MAOBKDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 BCL2 3141/4885MCL1 2173/4885MAOA 1525/4885
US-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS CCND1, DRD2, CCND2 BCL2 692/4885MCL1 2367/4885MAOA 271/4885
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 BCL2 1752/4885MCL1 2831/4885MAOA 1501/4885

“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.