SCHEMBL716875

SCHEMBL716875

Oc1ccc(CCc2cc(O)c(O)c(O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.67
ESR2 Q92731 1/20 0.67
LTA4H P09960 1/20 0.67
IGF1R P08069 1/20 0.57
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TYR P14679 1/20 0.53
CA2 P00918 1/20 0.52

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
SCHEMBL29079535 0.82 AKR1B1 (0.70) LTA4HTAAR1KMT2APOLB
SCHEMBL31545086 0.82 LTA4H (0.61) ESR1ESR2LTA4HIGF1RALOX15
SCHEMBL3873458 0.82 ESR1 (1.00) ESR1ESR2LTA4HIGF1RALOX15
SCHEMBL69344 0.82 ESR1 (1.00) ESR1ESR2LTA4HIGF1RALOX15
SCHEMBL278270 0.81 ESR1 (0.67) ESR1ESR2LTA4HIGF1RALOX15
SCHEMBL716420 0.81 IGF1R (0.55) IGF1RALOX15KDM4ETAAR1L3MBTL1
SCHEMBL28999489 0.81 ALOX15 (0.83) ESR1ESR2LTA4HIGF1RALOX15
SCHEMBL723983 0.80 LTA4H (0.58) LTA4HBACE1TYRPOLB
Dihydroresveratrol SCHEMBL716856 0.80 LTA4H (1.00) ESR1ESR2LTA4HIGF1RALOX15
SCHEMBL21694277 0.77 PTGS1 (0.71) ESR1ESR2LTA4HKDM4EALDH1A1

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-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
EP-2391658-B1 MOLECULARLY IMPRINTED POLYMERS COMMW SCIENT IND RES ORG (AU) 2015-09-23 EP disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 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
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 WO disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 ESR1 3086/4885ESR2 4013/4885LTA4H 2696/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 ESR1 3086/4885ESR2 4013/4885LTA4H 2696/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 ESR1 3086/4885ESR2 4013/4885LTA4H 2696/4885

“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.