SCHEMBL22823034

SCHEMBL22823034

COc1cc2c(CN)c3cc(OC)c(OI)cc3c(CN)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.38
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33

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
SCHEMBL22535922 0.89 DPP4 (0.43) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL22823350 0.83 DPP4 (0.30) DPP4
SCHEMBL22823351 0.77 DPP4 (0.40) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL22535937 0.72 PDE3B (0.39) DPP4PDE3BPDE3AKDM4EGAA
SCHEMBL22535971 0.72 DPP4 (0.33) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL28963207 0.69 PDE3B (0.58) PDE3BPDE3AKDM4EMAPT
SCHEMBL16740923 0.68 PDE3B (0.74) PDE3BPDE3A
Hydrochloric Acid SCHEMBL18128185 0.67 PDE3B (0.72) PDE3BPDE3A
SCHEMBL22535996 0.67 PDE3B (0.43) PDE3BPDE3AKDM4EMAPT
SCHEMBL1711296 0.67 CYP3A4 (0.53) PDE3BPDE3AKDM4EMAPTTDP1

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-20200399232-A1 MACROCYCLIC COMPOUNDS ZIYLO LTD (GB) 2020-12-24 — — 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-20200399232-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI DPP4 39/4885PDE3B 3237/4885PDE3A 3568/4885

“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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