SCHEMBL20172869

SCHEMBL20172869

CN(c1ccccc1C1CCCCC1)c1cccc2c1sc1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
GPR3 P46089 1/20 0.33
PARP14 Q460N5 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL20172930 0.90 HTR1A (0.35) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172883 0.86 HTR2C (0.33) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20650290 0.86 GPR3 (0.33) GPR3PARP14ALOX5
SCHEMBL20172914 0.85 PTGS2 (0.31) HTR1AHTR7PTGS2
SCHEMBL20172894 0.85 SLC6A4 (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20173632 0.84 PTGS2 (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21021045 0.83 ADRA2A (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21021483 0.83 HTR1D (0.34) HTR1AHTR7HTR1DHTR1BPTGS2
SCHEMBL20172941 0.83 ADRA2A (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20650800 0.82 KMT2A (0.33) ABCC1GPR3PARP14ALOX5MEN1

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ABCC1 4554/4885HTR1A 2933/4885HTR7 3018/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ABCC1 4554/4885HTR1A 2933/4885HTR7 3018/4885

“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.