SCHEMBL21175010

SCHEMBL21175010

CCOc1ccc2oc(C(=O)NCC3CCCCC3)cc(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.58
POLB P06746 4/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 2/20 0.49
METTL3 Q86U44 3/20 0.49
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.46
MAOA P21397 1/20 0.45

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
SCHEMBL21174978 0.89 ACHE (0.71) ACHEPOLBNPC1RAB9ABCHE
SCHEMBL19744227 0.85 POLB (0.64) ACHEPOLBMETTL3THRB
SCHEMBL21175006 0.84 ACHE (0.55) ACHEPOLBBCHEMETTL3ALOX5
SCHEMBL21175004 0.84 POLB (0.65) ACHEPOLBNPC1RAB9AMETTL3
SCHEMBL19744231 0.82 MAOB (0.57) ACHEPOLBBCHEMETTL3ALOX5
SCHEMBL19744267 0.82 POLB (0.53) ACHEPOLBNPC1RAB9ABCHE
SCHEMBL21174948 0.81 MEN1 (0.53) ACHEPOLBNPC1RAB9ABCHE
SCHEMBL21174988 0.81 METTL3 (0.57) ACHEPOLBNPC1RAB9ABCHE
SCHEMBL21174982 0.81 METTL3 (0.67) ACHEPOLBBCHEMETTL3ALOX5
SCHEMBL30224979 0.81 METTL3 (0.51) ACHEPOLBBCHEMETTL3ALOX5

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-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 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 (3 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 ACHE 2293/4885POLB 1211/4885NPC1 2002/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 ACHE 2293/4885POLB 1211/4885NPC1 2002/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 ACHE 1974/4885POLB 1062/4885NPC1 1924/4885

“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.