SCHEMBL21898693

SCHEMBL21898693

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4c(C(F)(F)F)cccc4C(F)(F)F)c(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)cc3C#N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
AR P10275 14/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TRPA1 O75762 1/20 0.33
RORC P51449 1/20 0.33
CTSK P43235 1/20 0.31

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
SCHEMBL20623728 0.94 KIF11 (0.38) KIF11ARPPARGPPARATRPA1
SCHEMBL20624005 0.93 AR (0.36) KIF11ARPPARGPPARARORC
SCHEMBL20623788 0.93 KIF11 (0.42) KIF11ARPPARGPPARATRPA1
SCHEMBL21898695 0.92 AR (0.36) ARPPARGPPARARORC
SCHEMBL21898692 0.90 AR (0.34) KIF11ARRORC
SCHEMBL20611573 0.90 KIF11 (0.36) KIF11ARPPARGPPARATRPA1
SCHEMBL21898841 0.89 TRPA1 (0.35) KIF11ARTRPA1
SCHEMBL20623784 0.89 KIF11 (0.39) KIF11ARTRPA1
SCHEMBL20623729 0.89 AR (0.38) KIF11ARPPARGPPARATRPA1
SCHEMBL20623789 0.89 KIF11 (0.37) KIF11ARPPARGPPARATRPA1

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 KIF11 3795/4885AR 4468/4885PPARG 3867/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 KIF11 3254/4885AR 4596/4885PPARG 3592/4885

“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.