SCHEMBL4909820

SCHEMBL4909820

OCc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.62
ALOX5 P09917 1/20 0.58
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NFKB1 P19838 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB2 Q00653 2/20 0.54
KMT2A Q03164 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPY1R P25929 1/20 0.54
P2RY14 Q15391 1/20 0.53
MAOA P21397 2/20 0.50

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
SCHEMBL30142393 1.00 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL4659168 0.83 MAOB (0.78) MAOBALOX5MMP12MMP13CA1
SCHEMBL4901769 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL28209117 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL30142395 0.83 MAOB (0.67) MAOBALOX5MMP12MMP13CA1
SCHEMBL6470762 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL2056341 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL5401392 0.81 FFAR1 (0.67) MAOBMMP12MMP13CA1CA2
SCHEMBL10574661 0.81 HDAC6 (0.52) MAOBALOX5MMP12MMP13CA2
SCHEMBL5032926 0.80 ESR1 (0.70) MAOBALOX5CA1CA2CA9

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-109574965-A The preparation and application of 2- (4- substituent group phenyl) -3- formamide benzofuran alkene cyanides 上海交通大学 2019-04-05 CN disclosed
CN-105330630-B Benzofuran compounds and its preparation method and application 上海交通大学 2018-04-17 CN disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-03-10 US disclosed
US-7855193-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 US disclosed
US-20080064677-A9 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2008-03-13 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 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 (5 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-20080064677-A9 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 MAOB 2244/4885ALOX5 139/4885MMP12 1226/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 MAOB 2244/4885ALOX5 139/4885MMP12 1226/4885
US-20110059945-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 MAOB 2244/4885ALOX5 139/4885MMP12 1226/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 MAOB 2244/4885ALOX5 139/4885MMP12 1226/4885
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 MAOB 240/4885ALOX5 2791/4885MMP12 2244/4885

“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.