SCHEMBL20172934

SCHEMBL20172934

CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
S1PR1 P21453 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
DRD2 P14416 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CAMKK2 Q96RR4 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
SCHEMBL20649867 0.87 S1PR1 (0.34) PROKR1S1PR1ALOX5APFEN1PTGDR2
SCHEMBL21020002 0.84 TDP1 (0.34) ALOX5APFEN1SLC6A3
SCHEMBL20172930 0.84 HTR1A (0.35) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL20172931 0.84 HTR2C (0.36) PROKR1SLC6A3
SCHEMBL20172933 0.82 MEN1 (0.34) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL20172848 0.81 S1PR1 (0.36) PROKR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL20172926 0.81 LMNA (0.35) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL20172927 0.80 HTR1A (0.31)
SCHEMBL21021495 0.79 HTR1A (0.36) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL20172882 0.79 SCN9A (0.32) S1PR1SLC6A3

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 PROKR1 4658/4885HTR1D 2040/4885HTR1B 1680/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 PROKR1 4600/4885HTR1D 4365/4885HTR1B 3206/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 PROKR1 4658/4885HTR1D 2040/4885HTR1B 1680/4885

“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.