SCHEMBL21898548

SCHEMBL21898548

N#Cc1c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
AR P10275 7/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PGR P06401 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
PTGES O14684 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 1/20 0.34
HIF1A Q16665 1/20 0.34
LDHA P00338 1/20 0.34

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
SCHEMBL21898531 0.97 KDM4E (0.36) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL20611490 0.93 AR (0.41) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL20624004 0.92 KIF11 (0.44) ALDH1A1HPGDGAAGLAAR
SCHEMBL21899809 0.92 AR (0.46) ALDH1A1HPGDGAAGLAAR
SCHEMBL20623838 0.91 PTPN5 (0.38) ARPGRKIF11
SCHEMBL20624342 0.91 KDM4E (0.38) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL20624013 0.90 KIF11 (0.41) ARKIF11
SCHEMBL21899766 0.90 AR (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL21898655 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL20623814 0.90 AR (0.50) KDM4EALDH1A1HPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
US-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-23 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 (2 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-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, AOC3, MT-CO3 KDM4E 3736/4885ALDH1A1 660/4885HPGD 1739/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 KDM4E 4576/4885ALDH1A1 55/4885HPGD 877/4885

“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.