SCHEMBL21020571

SCHEMBL21020571

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
AR P10275 1/20 0.34
C1R P00736 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
TNKS O95271 1/20 0.32
CYP11B1 P15538 1/20 0.31
PGR P06401 1/20 0.30
NR1H3 Q13133 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM1A O60341 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
SCHEMBL21021034 0.85 ALDH1A1 (0.39) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL21019985 0.85 ABCG2 (0.39) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL21020565 0.85 GAA (0.35) GAAMAPT
SCHEMBL20650355 0.84 AR (0.34) ARTNKS
SCHEMBL21020296 0.84 ABCG2 (0.36) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL21020278 0.83 NPC1 (0.36) ABCG2
SCHEMBL21021484 0.83 ABCG2 (0.40) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL20800814 0.83 ABCG2 (0.41) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL20800822 0.82 ABCG2 (0.37) ABCG2C1RKDM4EALDH1A1GAA
SCHEMBL21020570 0.81 KDM4C (0.30)

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 1596/4885AR 295/4885C1R 4162/4885

“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.