SCHEMBL8230899

SCHEMBL8230899

CC(=O)Oc1ccc(CC2C(=O)C(Cc3ccc(OC(C)=O)c(OC(C)=O)c3)C3CCC2N3C)cc1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
PTGS1 P23219 1/20 0.40
CCR5 P51681 4/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CFD P00746 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALOX15 P16050 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL108797 0.82 CYP3A4 (0.43) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL8225503 0.77 CYP3A4 (0.47) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL8230902 0.76 CYP3A4 (0.49) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL107953 0.76 CYP19A1 (0.50) CYP3A4IGF1RRAB9APOLBKDM4E
SCHEMBL178907 0.74 PTGS1 (0.47) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL107451 0.74 CYP3A4 (0.43) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL11373927 0.73 CCR5 (0.43) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL107445 0.73 CYP3A4 (0.44) CYP3A4PTGS1CCR5INSRIGF1R
SCHEMBL178977 0.70 TRPV1 (0.57) PTGS1CCR5INSRIGF1RRAB9A
SCHEMBL178979 0.70 CFD (0.69) PTGS1CCR5INSRIGF1RRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919530-B2 Compounds, compositions, and methods for the treatment of synucleinopathies PROTEOTECH, INC. (US) 2011-04-05 US disclosed
US-7763747-B2 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH, INC. (US) 2010-07-27 US disclosed
US-20100179223-A1 Compounds, Compositions, and Methods for the Treatment of Synucleinopathies PROTAMED, INC. 2010-07-15 US disclosed
US-7714170-B2 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH, INC. (US) 2010-05-11 US disclosed
US-7601876-B2 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTEOTECH, INC. (US) 2009-10-13 US disclosed
US-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis SNOW ALAN D 2009-08-06 US disclosed
US-20090143374-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTAMED, INC. 2009-06-04 US disclosed
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 US disclosed
US-20090069432-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH INC. 2009-03-12 US disclosed
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies PROTEOTECH, INC. 2007-11-29 US disclosed
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTAMED, INC. 2007-09-27 US disclosed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 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 (7 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-20100179223-A1 Compounds, Compositions, and Methods for the Treatment of Synucleinopathies SNCA, PARK7, COMT CYP3A4 1870/4885PTGS1 3096/4885CCR5 3995/4885
US-20090197965-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA CYP3A4 877/4885PTGS1 3401/4885CCR5 4467/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 CYP3A4 426/4885PTGS1 89/4885CCR5 240/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP CYP3A4 911/4885PTGS1 1556/4885CCR5 4549/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT CYP3A4 2096/4885PTGS1 3276/4885CCR5 4013/4885
US-20090143374-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis APP, BACE1, BACE2 CYP3A4 466/4885PTGS1 2841/4885CCR5 4546/4885
US-20090069432-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA CYP3A4 877/4885PTGS1 3401/4885CCR5 4467/4885

“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.