SCHEMBL19744070

SCHEMBL19744070

CCOC(=O)c1cc(=O)c2cccc(CO)c2o1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.54
MAOB P27338 3/20 0.53
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SLC2A1 P11166 1/20 0.46
GPR35 Q9HC97 4/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.45
TNKS O95271 1/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL8827768 0.93 AKR1B1 (0.55) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL9637038 0.91 AKR1B1 (0.53) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8106216 0.90 MAOB (0.52) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL10358950 0.87 MAOB (0.49) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL10358927 0.87 MAPK1 (0.60) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8106509 0.86 AKR1B1 (0.56) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL7633152 0.85 AKR1B1 (0.59) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL22617428 0.85 MAOB (0.61) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8123310 0.85 AKR1B1 (0.62) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL4254725 0.84 AKR1B1 (0.57) AKR1B1MAOBTP53THRBSLC2A1

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 9 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
EP-3472141-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2019-04-24 EP disclosed
WO-2017221002-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2017-12-28 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 (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 AKR1B1 2303/4885MAOB 2696/4885TP53 4246/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 AKR1B1 2303/4885MAOB 2696/4885TP53 4246/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 AKR1B1 2338/4885MAOB 2283/4885TP53 4279/4885

“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.