SCHEMBL20173632

SCHEMBL20173632

CN(c1ccccc1C1CCCCC1)c1cccc2c1sc1c(S(C)(C)C)cccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR6 P50406 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
SCHEMBL21982468 0.92 PTGS2 (0.33) PTGS2KMT2AATMHTR1AHTR7
SCHEMBL20172930 0.89 HTR1A (0.35) PTGS2KMT2AHTR1AHTR7HRH3
SCHEMBL20172914 0.87 PTGS2 (0.31) PTGS2HTR1AHTR7
SCHEMBL20172883 0.85 HTR2C (0.33) PTGS2HTR1AHTR7HRH3ADRA2A
SCHEMBL20172894 0.84 SLC6A4 (0.32) PTGS2KMT2AHTR1AHTR7ADRA2A
SCHEMBL20172869 0.84 ABCC1 (0.33) PTGS2KMT2AHTR1AHTR7HRH3
SCHEMBL20172925 0.84 HTR2C (0.36) PTGS2HTR1AHTR7
SCHEMBL21021045 0.82 ADRA2A (0.34) HTR1AHTR7HRH3ADRA2AADRA2B
SCHEMBL21021483 0.82 HTR1D (0.34) PTGS2KMT2AHTR1AHTR7HRH3
SCHEMBL20172941 0.82 ADRA2A (0.32) HTR1AHTR7HRH3ADRA2AADRA2B

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 2 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

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 PTGS2 2509/4885KMT2A 517/4885ATM 2781/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 PTGS2 2509/4885KMT2A 517/4885ATM 2781/4885

“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.