SCHEMBL21899809

SCHEMBL21899809

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.46
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
PGR P06401 2/20 0.34
KIF11 P52732 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 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
SCHEMBL21899766 0.96 AR (0.43) ARHPGDALDH1A1GLAGAA
SCHEMBL20611853 0.94 AR (0.48) ARHPGDALDH1A1GLAGAA
SCHEMBL20623814 0.93 AR (0.50) ARHPGDALDH1A1GLAGAA
SCHEMBL20623507 0.93 AR (0.42) ARHPGDALDH1A1GLAGAA
SCHEMBL21898491 0.93 AR (0.40) ARHPGDALDH1A1GLAGAA
SCHEMBL21898548 0.92 KDM4E (0.38) ARHPGDALDH1A1GLAGAA
SCHEMBL20624004 0.91 KIF11 (0.44) ARHPGDALDH1A1GLAGAA
SCHEMBL21899816 0.91 AR (0.46) ARHPGDALDH1A1GLAGAA
SCHEMBL20623719 0.90 AR (0.36) ARHPGDALDH1A1GLAGAA
SCHEMBL21899767 0.89 AR (0.43) ARHPGDALDH1A1GLAGAA

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 3 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
EP-3645523-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-08-03 EP 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 AR 4468/4885HPGD 1739/4885ALDH1A1 660/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 AR 4596/4885HPGD 877/4885ALDH1A1 55/4885

“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.