SCHEMBL30136082

SCHEMBL30136082

COC(=O)[C@H]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
CNR1 P21554 6/20 0.36
GRM5 P41594 1/20 0.35
NTRK1 P04629 1/20 0.35
PRMT5 O14744 1/20 0.34
FEN1 P39748 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
S1PR5 Q9H228 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 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
SCHEMBL25938922 1.00 LTA4H (0.41) LTA4HCNR1GRM5NTRK1PRMT5
SCHEMBL25935234 0.92 LTA4H (0.41) LTA4HCNR1FEN1NR1H4S1PR5
SCHEMBL25031039 0.84 GRM5 (0.33) CNR1GRM5FEN1NR1H4S1PR5
SCHEMBL25938924 0.84 GRM5 (0.33) CNR1GRM5FEN1NR1H4S1PR5
SCHEMBL30479056 0.84 GRM5 (0.33) CNR1GRM5FEN1NR1H4S1PR5
SCHEMBL25034787 0.82 FFAR4 (0.40) CNR1GRM5FFAR4
SCHEMBL30135909 0.82 FFAR4 (0.40) CNR1GRM5FFAR4
SCHEMBL25031490 0.82 GRM5 (0.37) LTA4HCNR1GRM5PRMT5FEN1
SCHEMBL30479062 0.82 GRM5 (0.37) LTA4HCNR1GRM5PRMT5FEN1
SCHEMBL29013187 0.77 GRM5 (0.38) GRM5FEN1S1PR5PTGDR2FFAR4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
EP-4157850-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO 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-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 LTA4H 3856/4885CNR1 4344/4885GRM5 1390/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 LTA4H 4070/4885CNR1 4569/4885GRM5 3397/4885

“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.