SCHEMBL4472398

SCHEMBL4472398

COc1cc(COC(C)=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.52
PDE3A Q14432 2/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE7B Q9NP56 1/20 0.52
PTGS2 P35354 1/20 0.52
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49

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
SCHEMBL30251689 0.89 TUBB4A (0.48) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL13851149 0.85 MET (0.60) CYP3A4MAPTALDH1A1KMT2AKDM4E
SCHEMBL23743671 0.85 ALDH1A1 (0.42) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL11742724 0.83 KMT2A (0.51) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL27448400 0.82 ALDH1A1 (0.46) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL13870581 0.82 MET (0.54) PTGS2CYP3A4ALDH1A1GAATNKS2
SCHEMBL24703867 0.82 PDE7A (0.50) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL27687891 0.82 TNKS2 (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13410941 0.81 ALDH1A1 (0.48) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL27978403 0.81 ALDH1A1 (0.63) PDE7APDE3APDE4BPDE4DPDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022146645-A2 LINKER STRUCTURES WITH MINIMAL SCAR FOR ENZYMATIC SYNTHESIS MICROSOFT TECHNOLOGY LICENSING, LLC (US) 2022-07-07 WO disclosed
US-7528271-B2 Intermediates, process for their preparation and synthesis of 1,4-benzoquiones BERGEN TEKNOLOGIOVERFORING AS (NO) 2009-05-05 US disclosed
WO-2008140328-A2 NOVEL INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND SYNTHESIS OF 1,4-BENZOQUINONES BERGEN TEKNOLOGIOVERFORING AS (NO) 2008-11-20 WO disclosed
US-20080287702-A1 Novel intermediates, process for their preparation and synthesis of 1, 4-benzoquiones BERGEN TEKNOLOGIOVERFORING AS (NO) 2008-11-20 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-20080287702-A1 Novel intermediates, process for their preparation and synthesis of 1, 4-benzoquiones SQOR, NDUFB10, UQCRB PDE7A 4332/4885PDE3A 2734/4885PDE4B 2885/4885

“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.