SCHEMBL20172820

SCHEMBL20172820

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
SLC22A12 Q96S37 2/20 0.32
PTGES O14684 1/20 0.32
CNR2 P34972 1/20 0.31
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
HTT P42858 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
AR P10275 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
SCHEMBL20650222 0.86 SLC22A12 (0.32) KDM4EMAPTSLC22A12PTGESCNR2
SCHEMBL20172808 0.83 L3MBTL1 (0.32) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL20172815 0.83 S1PR1 (0.33) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL21021040 0.83 KDM4E (0.34) ALDH1A1KDM4EMAPTGAA
SCHEMBL20172821 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAASLC22A12
SCHEMBL20172843 0.82 HSD11B1 (0.36) ALDH1A1KDM4EMAPTSLC22A12CNR2
SCHEMBL20172824 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTGAASLC22A12
SCHEMBL20172792 0.82 MAOA (0.39) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL20172864 0.81 EPHX2 (0.33) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL20172834 0.81 HTR6 (0.32) ALDH1A1L3MBTL1

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 ALDH1A1 87/4885KDM4E 1258/4885MAPT 754/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALDH1A1 1103/4885KDM4E 517/4885MAPT 1486/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALDH1A1 87/4885KDM4E 1258/4885MAPT 754/4885

“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.