SCHEMBL21020437

SCHEMBL21020437

CCc1cccc2c1oc1c(N(C)c3ccccc3OC(F)(F)F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
DRD2 P14416 4/20 0.34
PTGER1 P34995 2/20 0.33
HTR6 P50406 1/20 0.33
F2R P25116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
C1R P00736 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX5 P09917 1/20 0.31
PSMB5 P28074 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL20650311 0.87 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4DRD2PTGER1
SCHEMBL20172808 0.84 L3MBTL1 (0.32) SLC6A3SLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL20172815 0.84 S1PR1 (0.33) SLC6A3SLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL20172843 0.83 HSD11B1 (0.36) SLC6A3SLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL20172792 0.83 MAOA (0.39) SLC6A3SLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL21021458 0.82 SLC6A4 (0.38) SLC6A3SLC6A2SLC6A4PTGER1HCRTR2
SCHEMBL20172864 0.82 EPHX2 (0.33) ALDH1A1L3MBTL1C1RKDM4E
SCHEMBL20172834 0.82 HTR6 (0.32) HTR6ALDH1A1L3MBTL1C1R
SCHEMBL21021446 0.82 ALOX5 (0.38) PTGER1L3MBTL1KDM4EALOX5
SCHEMBL21021441 0.81 ESR1 (0.37) SLC6A2SLC6A4ALDH1A1KDM4EALOX5

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 SLC6A3 1404/4885SLC6A2 852/4885SLC6A4 874/4885

“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.