SCHEMBL21020586

SCHEMBL21020586

CN(c1ccc(C(F)(F)F)cc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR3 P46089 1/20 0.34
NPY1R P25929 1/20 0.34
PARP14 Q460N5 1/20 0.33
KDM1A O60341 1/20 0.33
ALOX5 P09917 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KIF11 P52732 1/20 0.32
MAPT P10636 1/20 0.32
LTC4S Q16873 1/20 0.32
TP53 P04637 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
SCHEMBL21021043 0.88 TNKS (0.40) MPIPHOSPHO1GPR3PARP14ALOX5
SCHEMBL21020583 0.85 HRH1 (0.39) GPR3PARP14ALOX5OPRM1RAB9A
SCHEMBL21021508 0.84 HDAC6 (0.31) KIF11
SCHEMBL2742930 0.84 GPR3 (0.42) GPR3PARP14ALOX5PIM1PIM2
SCHEMBL21021496 0.84 TNKS (0.34) KDM1AOPRM1OPRL1KIF11
SCHEMBL20650775 0.84 MPI (0.35) MPIPHOSPHO1EPHX2GPR3NPY1R
SCHEMBL21020329 0.84 KIF11 (0.32) KDM1AOPRM1OPRL1KIF11
SCHEMBL21020604 0.84 HDAC6 (0.34) EPHX2KDM1AOPRM1OPRL1KIF11
SCHEMBL21020589 0.83 ACP1 (0.39) GPR3PARP14PIM1PIM2KIF11
SCHEMBL21021046 0.83 GPR3 (0.38) GPR3PARP14ALOX5KDM4EALDH1A1

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 MPI 2857/4885PHOSPHO1 2559/4885EPHX2 150/4885

“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.