SCHEMBL10144709

SCHEMBL10144709

COc1ccc2c(c1)-c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 2/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL13138261 0.95 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL12879646 0.90 ACHE (0.42) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL13138267 0.89 METAP1 (0.42) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL9920546 0.88 MAOA (0.35) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL13138262 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL12219219 0.85 KDM4E (0.38) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL12879656 0.85 KDM4E (0.38) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL12879651 0.83 ACHE (0.47) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL12879647 0.81 ACHE (0.42) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL12879655 0.81 ESR1 (0.40) ALDH1A1HPGDKDM4ECYP3A4CYP2C9

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 4 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-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 (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-20110253988-A1 BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS CCND1, DRD2, CCND2 ALDH1A1 502/4885HPGD 1235/4885KDM4E 3589/4885
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 ALDH1A1 750/4885HPGD 3166/4885KDM4E 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.