SCHEMBL12879656

SCHEMBL12879656

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)-c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4C5)ccc2C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
MAOA P21397 2/20 0.35
CYP3A4 P08684 4/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL12219219 1.00 KDM4E (0.38) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12879655 0.91 ESR1 (0.40) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9920546 0.88 MAOA (0.35) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9920565 0.88 BCL2 (0.36) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13138273 0.88 ALDH1A1 (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30210980 0.88 ALDH1A1 (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12879658 0.88 ALDH1A1 (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12879669 0.87 PNMT (0.38) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13138261 0.87 ALDH1A1 (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL12879685 0.85 ALDH1A1 (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8373159-B2 Organic light-emitting diodes comprising carbene-transition metal complex emitter, and at least one compound selected from disilylcarbazoles, disilyldibenzofurans, disilyldibenzothiophenes, disilyldibenzophospholes, disilyldibenzothiophene s-oxides and disilyldibe BASF SE (DE) 2013-02-12 US disclosed
US-20110031477-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2011-02-10 US disclosed
US-20100219403-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING CARBENE-TRANSITION METAL COMPLEX EMITTERS, AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES BASF SE (DE) 2010-09-02 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-20100219403-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING CARBENE-TRANSITION METAL COMPLEX EMITTERS, AND AT LEAST ONE COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOSPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES DDT, GRIN2B, DRD1 KDM4E 3445/4885NPC1 4251/4885MAPT 875/4885
US-20110031477-A1 ORGANIC LIGHT-EMITTING DIODES COMPRISING AT LEAST ONE DISILYL COMPOUND SELECTED FROM DISILYLCARBAZOLES, DISILYLDIBENZOFURANS, DISILYLDIBENZOTHIOPHENES, DISILYLDIBENZOPHOLES, DISILYLDIBENZOTHIOPHENE S-OXIDES AND DISILYLDIBENZOTHIOPHENE S,S-DIOXIDES DDT, DDO, GRIN2B KDM4E 3195/4885NPC1 3832/4885MAPT 514/4885

“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.