SCHEMBL19744095

SCHEMBL19744095

COC(=O)/C=C(/Oc1ccccc1OC)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NFE2L2 Q16236 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL19744209 1.00 ATM (0.43) ATMPRSS1ACRCA12CA1
SCHEMBL18397751 0.84 LY96 (0.38) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL18397749 0.84 LY96 (0.38) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL19743723 0.84 PDE4A (0.42) NFE2L2PDE4APDE4BPDE4CPDE4D
SCHEMBL19744159 0.84 PDE4A (0.42) NFE2L2PDE4APDE4BPDE4CPDE4D
SCHEMBL4247652 0.83 RAB9A (0.54) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL4249662 0.83 RAB9A (0.54) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL4247657 0.83 RAB9A (0.54) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL19744001 0.82 MAOB (0.42) ATMNFE2L2ALDH1A1MAPTSMN1; SMN2
SCHEMBL19744201 0.82 MAOB (0.42) ATMNFE2L2ALDH1A1MAPTSMN1; SMN2

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 10 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
CN-109641864-A ANTI-INFECTIVE AGENTS 邓迪大学 2019-04-16 CN 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 ATM 3574/4885PRSS1 1195/4885ACR 3016/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 ATM 3574/4885PRSS1 1195/4885ACR 3016/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 ATM 3612/4885PRSS1 1292/4885ACR 2983/4885

“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.