SCHEMBL22158456

SCHEMBL22158456

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(F)c(F)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORB Q92753 1/20 0.32
NRP1 O14786 1/20 0.31
KIF11 P52732 3/20 0.31
AR P10275 2/20 0.31
IDO1 P14902 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL22158455 0.95 KIF11 (0.34) NRP1KIF11
SCHEMBL22156533 0.94 KIF11 (0.34) KIF11IDO1
SCHEMBL22156862 0.91 RAPGEF3 (0.34) RORCPGRRORARORBNRP1
SCHEMBL22157000 0.89 SQOR (0.37) RORCPGRRORARORBNRP1
SCHEMBL22158457 0.89 KIF11 (0.33) KIF11IDO1
SCHEMBL22158306 0.88 AR (0.34) RORCPGRRORARORBNRP1
SCHEMBL22157073 0.87 ADORA1 (0.36) RORCPGRRORARORBNRP1
SCHEMBL22157053 0.86 PDE9A (0.31) RORCPGRRORARORBNRP1
SCHEMBL22156854 0.86 KIF11 (0.35) KIF11LMNAMAPTTSHRHTT
SCHEMBL22157097 0.85 RAPGEF3 (0.37) PGRKIF11AR

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 RORC 869/4885PGR 2348/4885RORA 798/4885

“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.