SCHEMBL21893208

SCHEMBL21893208

COC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ SMPD1 P17405 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CHRNA7 P36544 2/20 0.32
▸ SGMS2 Q8NHU3 1/20 0.32
▸ USP2 O75604 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
SCHEMBL28388659 0.93 MAOB (0.38) PDE4BHPGDALDH1A1HSD17B10MEN1
SCHEMBL30079834 0.93 MAOB (0.38) PDE4BHPGDALDH1A1HSD17B10MEN1
SCHEMBL29940702 0.84 NOTUM (0.35) PDE4BLMNAHPGDNOTUMHSD17B10
SCHEMBL21893267 0.84 NOTUM (0.35) PDE4BLMNAHPGDNOTUMHSD17B10
SCHEMBL21894040 0.81 PDE4B (0.33) PDE4BMEN1KMT2ACHRNA7
SCHEMBL29940674 0.81 PDE4B (0.33) PDE4BMEN1KMT2ACHRNA7
SCHEMBL18459475 0.78 GPR84 (0.44) PDE4BHPGDSRD5A1SRD5A2SMPD1
SCHEMBL21893260 0.77 MAOB (0.36) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL30079621 0.77 MAOB (0.36) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28391592 0.76 PDE4B (0.33) PDE4BHSD17B10CHRNA7

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-20220041614-A1 FUSED TETRACYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-02-10 — — US disclosed
WO-2020063870-A1 FUSED TETRACYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-04-02 — — 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 (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-20220041614-A1 FUSED TETRACYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SLC10A1, CYP4A11, CYP11B2 PDE4B 2755/4885LMNA 1375/4885HPGD 364/4885

“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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