SCHEMBL23348458

SCHEMBL23348458

CC(C)(C)c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4ccccc4)cc32)c1-c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.38
KIF11 P52732 1/20 0.35
SERPINE1 P05121 1/20 0.33
PTPN5 P54829 1/20 0.32
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
ICMT O60725 1/20 0.30
ACLY P53396 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
SCHEMBL23348463 0.93 KIF11 (0.36) PGRKIF11SERPINE1PTPN5GRIA2
SCHEMBL23348287 0.92 KIF11 (0.40) PGRKIF11SERPINE1PTPN5GRIA2
SCHEMBL23348397 0.91 KIF11 (0.41) PGRKIF11SERPINE1PTPN5ACLY
SCHEMBL23348423 0.91 PGR (0.42) PGRGRIA2GRIA4
SCHEMBL23348327 0.91 KIF11 (0.35) KIF11
SCHEMBL22155887 0.90 RORC (0.35) PGRKIF11
SCHEMBL23348316 0.89 KIF11 (0.39) PGRKIF11SERPINE1PTPN5ACLY
SCHEMBL22155886 0.89 KIF11 (0.34) PGRKIF11
SCHEMBL22156861 0.89 KIF11 (0.38) PGRKIF11
SCHEMBL22156394 0.89 PGR (0.45) PGRGRIA2GRIA4ACLY

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-20210139425-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-13 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-20210139425-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CCND2, CCND1, CRY1 PGR 2039/4885KIF11 1724/4885SERPINE1 4594/4885

“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.