SCHEMBL21020002

SCHEMBL21020002

CN(c1ccc(OC(F)(F)F)cc1)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
EPHX1 P07099 2/20 0.32
EPHX2 P34913 2/20 0.32
ACP1 P24666 1/20 0.32
HTR2A P28223 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MERTK Q12866 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
DHFR P00374 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
SCHEMBL20649845 0.88 ALOX5AP (0.33) TDP1L3MBTL1EPHX1EPHX2ALOX5AP
SCHEMBL21019999 0.86 HTR1A (0.32) SLC6A4HTR2APOLB
SCHEMBL21020320 0.85 HTR1A (0.32)
SCHEMBL20172934 0.84 PROKR1 (0.35) SLC6A3ALOX5APFEN1
SCHEMBL20650754 0.83 LMNA (0.33)
SCHEMBL21021495 0.83 HTR1A (0.36) KDM4EALDH1A1
SCHEMBL21020318 0.83 PSMB5 (0.32)
SCHEMBL21020460 0.83 RAB9A (0.32) SLC6A4HTR2AALDH1A1
SCHEMBL21020444 0.81 TDP1 (0.34) TDP1L3MBTL1SCN9ASLC6A4SLC6A3
SCHEMBL21020461 0.81 ADRA2A (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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 (1 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 TDP1 3076/4885L3MBTL1 1639/4885SCN9A 1557/4885

“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.