SCHEMBL20172931

SCHEMBL20172931

CN(c1ccccc1C(F)(F)F)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 1/20 0.33
RBP4 P02753 9/20 0.32
PROKR1 Q8TCW9 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTGS2 P35354 1/20 0.30
PNMT P11086 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL20172925 0.91 HTR2C (0.36) HTR2CGAATDP1HTR1AHTR7
SCHEMBL20172927 0.90 HTR1A (0.31) HTR1AHTR7
SCHEMBL20172930 0.87 HTR1A (0.35) HTR1AHTR7PTGS2
SCHEMBL20649863 0.86 HTR2C (0.36) HTR2CGAATDP1HTR1ARBP4
SCHEMBL20172933 0.85 MEN1 (0.34) GAAHTR1AHTR7SLC6A4PTGS2
SCHEMBL20172934 0.84 PROKR1 (0.35) PROKR1SLC6A3
SCHEMBL20172926 0.83 LMNA (0.35) HTR2CHTR1AHTR7PTGS2
SCHEMBL21019999 0.83 HTR1A (0.32) HTR2CHTR1AHTR7SLC6A2SLC6A4
SCHEMBL20172914 0.83 PTGS2 (0.31) HTR1AHTR7PTGS2
SCHEMBL21021495 0.82 HTR1A (0.36) HTR1AHTR7PTGS2

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 HTR2C 2681/4885GAA 1305/4885TDP1 3519/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR2C 2958/4885GAA 2197/4885TDP1 3076/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR2C 2681/4885GAA 1305/4885TDP1 3519/4885

“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.