SCHEMBL20172808

SCHEMBL20172808

CN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(F)cccc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
C1R P00736 1/20 0.32
EPHX2 P34913 1/20 0.32
RORC P51449 3/20 0.31
RPS6KA2 Q15349 1/20 0.31
TRPA1 O75762 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 2/20 0.30
RHEB Q15382 1/20 0.30
ACP1 P24666 1/20 0.30
MAPT P10636 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
SCHEMBL20172815 0.87 S1PR1 (0.33) L3MBTL1ALDH1A1C1REPHX2RPS6KA2
SCHEMBL20172843 0.86 HSD11B1 (0.36) L3MBTL1ALDH1A1C1REPHX2RPS6KA2
SCHEMBL20172792 0.86 MAOA (0.39) L3MBTL1ALDH1A1C1REPHX2RPS6KA2
SCHEMBL20172834 0.85 HTR6 (0.32) L3MBTL1ALDH1A1C1REPHX2RPS6KA2
SCHEMBL20172864 0.85 EPHX2 (0.33) L3MBTL1ALDH1A1C1REPHX2RPS6KA2
SCHEMBL21020270 0.84 KCNK3 (0.39) L3MBTL1ALDH1A1C1REPHX2RPS6KA2
SCHEMBL21020437 0.84 SLC6A3 (0.36) L3MBTL1ALDH1A1C1RSLC6A2SLC6A4
SCHEMBL20172820 0.83 ALDH1A1 (0.35) L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL20172817 0.82 NPC1 (0.34) ALDH1A1C1RKDM4E
SCHEMBL21020448 0.81 ACP1 (0.36) EPHX2SLC6A2SLC6A4SLC6A3ACP1

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 L3MBTL1 349/4885ALDH1A1 87/4885C1R 3637/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 L3MBTL1 1639/4885ALDH1A1 1103/4885C1R 4162/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 L3MBTL1 349/4885ALDH1A1 87/4885C1R 3637/4885

“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.