SCHEMBL17811396

SCHEMBL17811396

Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)ncc1[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.39
PIM1 P11309 2/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NPC1 O15118 5/20 0.36
DYRK1A Q13627 2/20 0.34
RAB9A P51151 4/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PSMB5 P28074 1/20 0.33
AHR P35869 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HCRTR1 O43613 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 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
SCHEMBL17787955 0.84 MAOA (0.40) LDHANPC1RAB9AAHRALDH1A1
SCHEMBL26312971 0.83 NPC1 (0.42) LDHAPIM1PIM3PIM2NPC1
SCHEMBL17811398 0.83 DYRK1A (0.44) LDHANPC1DYRK1ARAB9AALOX5AP
SCHEMBL17637116 0.82 LDHA (0.56) LDHAPIM1PIM3PIM2NPC1
SCHEMBL17811394 0.79 LDHA (0.40) LDHAPIM1PIM3PIM2NPC1
SCHEMBL17637118 0.79 LDHA (0.46) LDHAPIM1PIM3PIM2NPC1
SCHEMBL17811395 0.77 SGK1 (0.36) DYRK1AALOX5APFEN1
SCHEMBL21821168 0.76 NPC1 (0.36) LDHAPIM1PIM3PIM2NPC1
SCHEMBL18540393 0.76 LDHA (0.40) LDHAPIM1PIM3PIM2NPC1
SCHEMBL18540376 0.75 IDO1 (0.44) LDHANPC1RAB9AALDH1A1MAPT

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-20220123236-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-04-21 US disclosed
US-20160164012-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-09 US disclosed
US-20160164012-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-09 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-20160164012-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 LDHA 1260/4885PIM1 773/4885PIM3 1674/4885
US-20220123236-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 LDHA 1260/4885PIM1 773/4885PIM3 1674/4885

“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.