SCHEMBL19743940

SCHEMBL19743940

COc1ccccc1O/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA4 P22748 1/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 4/20 0.44
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
TFEB P19484 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
BCHE P06276 2/20 0.41

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
SCHEMBL19744074 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBCA12CA1CA2
SCHEMBL19744008 0.83 FFAR1 (0.41) SMN1; SMN2POLBCA12CA1CA2
SCHEMBL19744207 0.83 FFAR1 (0.41) SMN1; SMN2POLBCA12CA1CA2
SCHEMBL14263873 0.83 PPARG (0.44) SMN1; SMN2KMT2AHTTKDM4EATM
SCHEMBL29986082 0.80 ALDH1A1 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL19744249 0.80 ALDH1A1 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL19744270 0.80 ALDH1A1 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4986897 0.79 ALDH1A1 (0.40) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL4986903 0.79 ALDH1A1 (0.40) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL4986892 0.79 ALDH1A1 (0.40) SMN1; SMN2POLBKMT2AHTTLMNA

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 SMN1; SMN2 4558/4885POLB 1211/4885CA12 4676/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 SMN1; SMN2 4558/4885POLB 1211/4885CA12 4676/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 SMN1; SMN2 4582/4885POLB 1062/4885CA12 4673/4885

“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.