SCHEMBL20172930

SCHEMBL20172930

CN(c1ccccc1C1CCCCC1)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
PTGS2 P35354 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR6 P50406 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL20172926 0.91 LMNA (0.35) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172883 0.91 HTR2C (0.33) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172894 0.90 SLC6A4 (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172933 0.90 MEN1 (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21021495 0.90 HTR1A (0.36) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172869 0.90 ABCC1 (0.33) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20173632 0.89 PTGS2 (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21982468 0.88 PTGS2 (0.33) HTR1AHTR7PTGS2HRH3KMT2A
SCHEMBL20172929 0.88 ADRA2A (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172924 0.88 ADRA2A (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C

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 HTR1A 2933/4885HTR7 3018/4885ADRA2A 2706/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR1A 3991/4885HTR7 3913/4885ADRA2A 4236/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR1A 2933/4885HTR7 3018/4885ADRA2A 2706/4885

“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.