SCHEMBL21020296

SCHEMBL21020296

CN(c1ccc(C#N)cc1)c1cccc2c1oc1c(C(F)(F)F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.36
NR1H3 Q13133 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
KIF11 P52732 2/20 0.33
CNR2 P34972 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
C1R P00736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
CYP19A1 P11511 2/20 0.30
HSD11B1 P28845 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL20800823 0.89 ABCG2 (0.37) ABCG2KIF11C1RKDM4EALDH1A1
SCHEMBL20650699 0.85 SLC22A12 (0.33) SLC22A12KIF11CNR2USP1WDR48
SCHEMBL21020300 0.85 EPHX2 (0.40) NR1H3KIF11HDAC6HSD11B1TRPV1
SCHEMBL21020294 0.85 HDAC6 (0.32) ALDH1A1HDAC6
SCHEMBL21020302 0.85 NR1H2 (0.33) NR1H3HDAC6
SCHEMBL21020299 0.84 EPHX2 (0.32) HDAC6
SCHEMBL21020571 0.84 ABCG2 (0.38) ABCG2NR1H3C1RKDM4EALDH1A1
SCHEMBL21020295 0.82 EPHX2 (0.34) HDAC6HSD11B1TRPV1
SCHEMBL21021034 0.82 ALDH1A1 (0.39) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL21019985 0.82 ABCG2 (0.39) ABCG2C1RKDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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 (1 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ABCG2 1596/4885NR1H3 1237/4885SLC22A12 643/4885

“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.