SCHEMBL4548341

SCHEMBL4548341

COc1cc(C(C)=O)cc(-c2cc(C(C)=O)cc(OC)c2O)c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.81
CA5A P35218 2/20 0.57
PKM P14618 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
PTGS2 P35354 1/20 0.53
TNKS2 Q9H2K2 2/20 0.47
CYP3A4 P08684 3/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL29530815 1.00 LMNA (0.81) LMNACA5APKMCA12CA1
SCHEMBL19272079 0.91 LMNA (0.68) LMNACA5APKMCA12CA1
Acetosyringone SCHEMBL15511 0.90 LMNA (1.00) LMNACA5APKMCA12CA1
SCHEMBL4545186 0.87 LMNA (0.62) LMNACA5APKMCA12CA1
SCHEMBL14516907 0.87 LMNA (0.62) LMNACA5APKMCA12CA1
SCHEMBL2338863 0.86 LMNA (0.84) LMNACA5APKMCA12CA1
SCHEMBL29393519 0.84 CA12 (0.81) LMNACA5APKMCA12CA1
SCHEMBL17655678 0.84 CA12 (0.81) LMNACA5APKMCA12CA1
SCHEMBL6944075 0.82 LMNA (0.78) LMNACA5APKMCA12CA1
SCHEMBL12396894 0.82 LMNA (0.78) LMNACA5APKMCA12CA1

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
WO-2020187155-A1 USE OF APOCYNIN DIMER ANALOGUE DERIVATIVE IN PREPARING MEDICAMENT OR HEALTH CARE PRODUCT FOR PREVENTING AND TREATING PARKINSON'S DISEASE 暨南大学 2020-09-24 WO disclosed
US-20190032098-A1 PROCESS FOR PREPARING BIPHENYL COMPOUNDS UNIV BORDEAUX (FR) 2019-01-31 US disclosed
US-20170240937-A1 NEW PROCESS FOR PREPARING BIPHENYL COMPOUNDS UNIVERSITÉ DE BORDEAUX (FR) 2017-08-24 US disclosed
US-20170240937-A1 NEW PROCESS FOR PREPARING BIPHENYL COMPOUNDS UNIVERSITÉ DE BORDEAUX (FR) 2017-08-24 US disclosed
EP-2424872-B1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE MEDICAL COLLEGE OF WISCONSIN INC (US) 2017-05-17 EP disclosed
WO-2016050988-A1 NEW PROCESS FOR PREPARING BIPHENYL COMPOUNDS UNIVERSITÉ DE BORDEAUX (FR) 2016-04-07 WO disclosed
EP-3002333-A1 Process for preparing biphenyl compounds Université de Bordeaux (FR) 2016-04-06 EP disclosed
US-8962600-B2 Neuroprotective compounds and their use THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2015-02-24 US disclosed
US-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-03 US disclosed
WO-2010126719-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE MCW RESEARCH FOUNDATION, INC. (US) 2010-11-04 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-20190032098-A1 PROCESS FOR PREPARING BIPHENYL COMPOUNDS CYP1B1, CYP1A1, CYP1A2 LMNA 1727/4885CA5A 395/4885PKM 1548/4885
US-20170240937-A1 NEW PROCESS FOR PREPARING BIPHENYL COMPOUNDS CYP1B1, CYP1A1, CYP1A2 LMNA 2345/4885CA5A 204/4885PKM 1892/4885
US-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NLN, ATP6V1B2, BDNF LMNA 653/4885CA5A 2550/4885PKM 2960/4885

“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.