SCHEMBL20172863

SCHEMBL20172863

CN(c1ccccc1C1CCCCC1)c1cccc2c1oc1c([Si](C)(C)C)cccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NTSR1 P30989 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL20172853 0.91 CEL (0.33) CELADRA2AADRA2BADRA2CHTR1A
SCHEMBL20172854 0.89 CEL (0.36) CELADRA2AADRA2BADRA2CHTR1A
SCHEMBL20172805 0.85 CEL (0.34) CELADRA2AADRA2BADRA2CHTR1A
SCHEMBL20172810 0.84 CEL (0.33) CELADRA2AADRA2BADRA2CHTR1A
SCHEMBL20172793 0.84 CYP2C19 (0.35) CELHTR1AHTR7KDM4EMEN1
SCHEMBL21020273 0.83 ADRA2A (0.34) CELADRA2AADRA2BADRA2CHTR1A
SCHEMBL21021031 0.82 KMT2A (0.34) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21982426 0.82 PTGS2 (0.33) CELHTR1AHTR7HRH3KDM4E
SCHEMBL21020440 0.82 CEL (0.35) CELHTR1AHTR7HRH3KDM4E
SCHEMBL20172832 0.82 CEL (0.32) CELHTR1AHTR7

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 CEL 3965/4885ADRA2A 2706/4885ADRA2B 2858/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CEL 3495/4885ADRA2A 4236/4885ADRA2B 4450/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CEL 3965/4885ADRA2A 2706/4885ADRA2B 2858/4885

“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.