SCHEMBL20172901

SCHEMBL20172901

CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C#N)cccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SLC22A12 Q96S37 2/20 0.32
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
AR P10275 1/20 0.30
PDE10A Q9Y233 1/20 0.30
PTGES O14684 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
SCHEMBL20650842 0.86 SLC22A12 (0.32) SLC22A12PDE10A
SCHEMBL20172891 0.83 TRPA1 (0.31) KDM4E
SCHEMBL20172882 0.83 SCN9A (0.32) KDM4E
SCHEMBL21020597 0.83 KDM4E (0.34) KDM4EALDH1A1GAAMAPT
SCHEMBL20172896 0.82 ALDH1A1 (0.43) KDM4EALDH1A1GAAMAPTSLC22A12
SCHEMBL20172899 0.82 KDM4E (0.37) KDM4EALDH1A1GAAMAPTSLC22A12
SCHEMBL20172919 0.82 HSD11B1 (0.36) KDM4ESLC22A12
SCHEMBL20172867 0.82 GPR3 (0.33) KDM4EMAPT
SCHEMBL20172910 0.81 HTR6 (0.32) KDM4E
SCHEMBL20172897 0.80 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTPDE10A

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 KDM4E 1258/4885ALDH1A1 87/4885GAA 1305/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 KDM4E 517/4885ALDH1A1 1103/4885GAA 2197/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 KDM4E 1258/4885ALDH1A1 87/4885GAA 1305/4885

“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.