SCHEMBL20172834

SCHEMBL20172834

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
P2RY1 P47900 3/20 0.31
C1R P00736 1/20 0.31
EPHX2 P34913 1/20 0.30
RPS6KA2 Q15349 1/20 0.30
P2RY14 Q15391 1/20 0.30
SCN9A Q15858 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
SCHEMBL20172843 0.91 HSD11B1 (0.36) HTR6ALDH1A1L3MBTL1HSD11B1C1R
SCHEMBL20650461 0.87 P2RY1 (0.31) ALDH1A1L3MBTL1HSD11B1P2RY1C1R
SCHEMBL20172815 0.85 S1PR1 (0.33) HTR6ALDH1A1L3MBTL1C1REPHX2
SCHEMBL20172808 0.85 L3MBTL1 (0.32) HTR6ALDH1A1L3MBTL1C1REPHX2
SCHEMBL21021477 0.84
SCHEMBL20172792 0.84 MAOA (0.39) HTR6ALDH1A1L3MBTL1C1REPHX2
SCHEMBL20172828 0.83 ACP1 (0.33)
SCHEMBL20172864 0.83 EPHX2 (0.33) ALDH1A1L3MBTL1C1REPHX2RPS6KA2
SCHEMBL20172831 0.83 KIF11 (0.35) ALDH1A1
SCHEMBL21020437 0.82 SLC6A3 (0.36) HTR6ALDH1A1L3MBTL1C1R

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 3 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-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 (2 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 HTR6 2028/4885ALDH1A1 87/4885L3MBTL1 349/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR6 2028/4885ALDH1A1 87/4885L3MBTL1 349/4885

“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.