SCHEMBL25821509

SCHEMBL25821509

CC(C)(C)OC(=O)CCCOc1cccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.43
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ LTB4R Q15722 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ BAK1 Q16611 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37

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
SCHEMBL26641260 0.95 FFAR4 (0.39) FFAR4HDAC1HDAC2HDAC8HDAC6
SCHEMBL25819108 0.91 FFAR4 (0.43) FFAR4HDAC1HDAC2HDAC8HDAC6
SCHEMBL30257492 0.90 PTPN1 (0.43) MAOBMRGPRX4MCL1BAK1NR1H2
SCHEMBL25033937 0.90 FFAR4 (0.40) FFAR4HDAC8MCL1BAK1NR1H2
SCHEMBL30475485 0.84 TRPV3 (0.37) LTB4RMCL1BAK1
SCHEMBL25033869 0.84 TRPV3 (0.37) LTB4RMCL1BAK1
SCHEMBL25079170 0.82 HDAC1 (0.45) HDAC1FAAH
SCHEMBL25079210 0.81 DHODH (0.44) —
SCHEMBL25819122 0.80 HDAC8 (0.41) FFAR4HDAC8NR1H2
SCHEMBL30937208 0.80 CNR1 (0.36) MCL1BAK1

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-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 — — US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 — — 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 (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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 FFAR4 4754/4885HDAC1 1155/4885HDAC2 1597/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 FFAR4 4733/4885HDAC1 989/4885HDAC2 1105/4885

“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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