SCHEMBL20172932

SCHEMBL20172932

CCc1ccccc1N(C)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
METAP2 P50579 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
METAP1 P53582 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 2/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
BCHE P06276 1/20 0.31
C5AR1 P21730 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KMT2A Q03164 1/20 0.30
NAAA Q02083 1/20 0.30
MAPT P10636 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
SCHEMBL21021483 0.91 HTR1D (0.34) HTR1DHTR1BMETAP2HRH3METAP1
SCHEMBL20172930 0.88 HTR1A (0.35) HTR1DHTR1BHRH3PTGDR2PTGS2
SCHEMBL20649861 0.87 HTR1D (0.31) HTR1DHTR1BMETAP2HRH3METAP1
SCHEMBL20173698 0.85
SCHEMBL20172926 0.84 LMNA (0.35) HTR1DHTR1BHRH3LMNAPTGS2
SCHEMBL24433999 0.84 PTGDR2 (0.35) HTR1DHTR1BMETAP2PTGDR2LMNA
SCHEMBL20172933 0.83 MEN1 (0.34) HTR1DHTR1BSLC6A4PTGS2HTR1A
SCHEMBL21021495 0.83 HTR1A (0.36) HTR1DHTR1BHRH3PTGDR2PTGS2
SCHEMBL21982468 0.81 PTGS2 (0.33) HRH3PTGS2HTR1AHTR7KMT2A
SCHEMBL20172924 0.81 ADRA2A (0.34) HRH3HTR1AHTR7

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 HTR1D 2040/4885HTR1B 1680/4885METAP2 1190/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR1D 4365/4885HTR1B 3206/4885METAP2 1891/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR1D 2040/4885HTR1B 1680/4885METAP2 1190/4885

“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.