SCHEMBL20172941

SCHEMBL20172941

CN(c1ccccc1C1CCCCC1)c1cccc2c1sc1c([Si](C)(C)C)cccc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL20172929 0.91 ADRA2A (0.32) ADRA2AADRA2BADRA2CHTR1AHTR7
SCHEMBL20172930 0.88 HTR1A (0.35) ADRA2AADRA2BADRA2CHTR1AHTR7
SCHEMBL20172883 0.84 HTR2C (0.33) ADRA2AADRA2BADRA2CHTR1AHTR7
SCHEMBL20172894 0.83 SLC6A4 (0.32) ADRA2AADRA2BADRA2CHTR1AHTR7
SCHEMBL20172869 0.83 ABCC1 (0.33) ADRA2AADRA2BADRA2CHTR1AHTR7
SCHEMBL21021059 0.83 LMNA (0.32)
SCHEMBL20173632 0.82 PTGS2 (0.34) ADRA2AADRA2BADRA2CHTR1AHTR7
SCHEMBL21021483 0.81 HTR1D (0.34) HTR1AHTR7HRH3
SCHEMBL20172914 0.81 PTGS2 (0.31) HTR1AHTR7
SCHEMBL21021045 0.81 ADRA2A (0.34) ADRA2AADRA2BADRA2CHTR1AHTR7

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 ADRA2A 2706/4885ADRA2B 2858/4885ADRA2C 2739/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ADRA2A 4236/4885ADRA2B 4450/4885ADRA2C 4151/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ADRA2A 2706/4885ADRA2B 2858/4885ADRA2C 2739/4885

“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.