SCHEMBL21020286

SCHEMBL21020286

CN(c1ccccc1)c1cccc2c1oc1c(C#N)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 3/20 0.34
IMPDH2 P12268 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CHKA P35790 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TSHR P16473 1/20 0.33
TOP2A P11388 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL21020290 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL21021034 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL20172821 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL21021033 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL20173776 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL21020287 0.85 CYP1A2 (0.37) ALDH1A1KDM4EGAAMAPTSLC6A2
SCHEMBL21020289 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTSLC6A2
SCHEMBL20173773 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL20172812 0.84 TSHR (0.42) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL21021029 0.84 NR1H3 (0.37) ALDH1A1KDM4EGAAMAPTSLC6A2

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 ALDH1A1 1103/4885KDM4E 517/4885GAA 2197/4885

“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.