SCHEMBL22742482

SCHEMBL22742482

CC(C)c1ccc(N(c2ccc(C#N)cc2)c2ccc3c(ccc4c5cc6oc7c8ccc(N(c9ccc(C#N)cc9)c9ccc(C(C)C)cc9)cc8ccc7c6cc5oc34)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ USP14 P54578 1/20 0.31
▸ PGR P06401 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
SCHEMBL22739436 0.97 USP14 (0.31) KDM4EMEN1MAPTKMT2AUSP14
SCHEMBL22740245 0.92 NCEH1 (0.31) KDM4EMEN1MAPTKMT2AUSP14
SCHEMBL22739396 0.91 PGR (0.32) KDM4EMEN1MAPTKMT2AUSP14
SCHEMBL22740964 0.91 PGR (0.34) KDM4EMEN1MAPTKMT2APGR
SCHEMBL22739431 0.91 TBK1 (0.33) KDM4EMEN1MAPTKMT2A
SCHEMBL22741039 0.90 PGR (0.30) PGR
SCHEMBL21870443 0.90 MAOB (0.31) KDM4EMEN1MAPTKMT2AUSP14
SCHEMBL22742200 0.87 TBK1 (0.32) —
SCHEMBL22740770 0.87 PGR (0.33) KDM4EMEN1MAPTKMT2APGR
SCHEMBL21870041 0.86 HRH3 (0.32) KDM4EMEN1MAPTKMT2AUSP14

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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-03 — — 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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, LEF1 KDM4E 3079/4885MEN1 612/4885MAPT 2589/4885

“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.

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