SCHEMBL717315

SCHEMBL717315

C=C(c1ccccc1)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
CA1 P00915 2/20 0.56
CA6 P23280 1/20 0.56
PARP1 P09874 1/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GFER P55789 2/20 0.48
HTT P42858 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
ALDH1A1 P00352 5/20 0.48
CA14 Q9ULX7 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
Resorcinol SCHEMBL28296395 0.93 CA12 (0.57) CA12CA2CA9CA1CA6
SCHEMBL8865622 0.93 CA12 (0.56) CA12CA2CA9CA1CA6
Phenol SCHEMBL27360368 0.85 MAPT (0.65) CA12CA2CA9CA1CA6
SCHEMBL814654 0.85 MEN1 (0.52) MAPTHSD17B10GFERHTTGPR55
SCHEMBL19668108 0.84 HSD17B10 (0.50) CA12CA2CA9CA1CA6
SCHEMBL21811989 0.83 MEN1 (0.50) MAPTHSD17B10GFERHTTGPR55
Phenol SCHEMBL27740038 0.81 MAPT (0.59) CA12CA2CA9CA1CA6
SCHEMBL12189622 0.81 CA12 (0.60) CA12CA2CA9CA1CA6
Benzene SCHEMBL28340939 0.80 MEN1 (0.61) CA12CA2CA9CA1CA6
SCHEMBL3844822 0.80 MEN1 (0.61) CA12CA2CA9CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
EP-2391658-A1 MOLECULARLY IMPRINTED POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-12-07 EP disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 WO disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-4914213-A Indole derivatives and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1990-04-03 US disclosed
US-4707553-A Indole derivatives and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1987-11-17 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 (6 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 CA12 3875/4885CA2 2055/4885CA9 4020/4885
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CA12 2969/4885CA2 4764/4885CA9 767/4885
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA2 1557/4885CA9 397/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA2 1557/4885CA9 397/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA2 1557/4885CA9 397/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES CA12 3558/4885CA2 1814/4885CA9 3372/4885

“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.