SCHEMBL20172792

SCHEMBL20172792

CN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
ALOX5 P09917 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
C1R P00736 1/20 0.32
PGR P06401 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL20172815 0.86 S1PR1 (0.33) ALDH1A1KDM4EEPHX2RPS6KA2L3MBTL1
SCHEMBL20172808 0.86 L3MBTL1 (0.32) ALDH1A1KDM4EEPHX2RPS6KA2L3MBTL1
SCHEMBL20172843 0.85 HSD11B1 (0.36) ALDH1A1KDM4EEPHX2RPS6KA2L3MBTL1
SCHEMBL20649744 0.84 EPHX2 (0.37) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL20172864 0.84 EPHX2 (0.33) ALDH1A1KDM4EEPHX2RPS6KA2L3MBTL1
SCHEMBL20172834 0.84 HTR6 (0.32) ALDH1A1EPHX2RPS6KA2L3MBTL1C1R
SCHEMBL21020437 0.83 SLC6A3 (0.36) ALDH1A1KDM4EALOX5L3MBTL1C1R
SCHEMBL21020270 0.83 KCNK3 (0.39) ALDH1A1EPHX2RPS6KA2L3MBTL1C1R
SCHEMBL21020263 0.82 ACP1 (0.39) NPC1LMNARAB9AEPHX2MEN1
SCHEMBL20172820 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EL3MBTL1MAPT

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 MAOA 851/4885ALDH1A1 87/4885KDM4E 1258/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MAOA 1128/4885ALDH1A1 1103/4885KDM4E 517/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MAOA 851/4885ALDH1A1 87/4885KDM4E 1258/4885

“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.