SCHEMBL720452

SCHEMBL720452

Nc1cc(N)cc(CCc2ccc(O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.64
ESR1 P03372 2/20 0.64
ESR2 Q92731 2/20 0.64
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR3A P46098 1/20 0.54
BACE1 P56817 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GFER P55789 1/20 0.50
CA2 P00918 1/20 0.50
CYP19A1 P11511 1/20 0.47
ABAT P80404 1/20 0.46

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
SCHEMBL901202 0.83 ESR1 (0.74) LTA4HESR1ESR2ALDH1A1KDM4E
SCHEMBL24080171 0.83 GFER (0.74) ALDH1A1KMT2ATDP1GFERCYP19A1
SCHEMBL10799509 0.83 LTA4H (0.50) LTA4HESR1ESR2ALDH1A1KDM4E
SCHEMBL27846752 0.82 ESR1 (0.64) LTA4HESR1ESR2ALDH1A1KDM4E
SCHEMBL69344 0.80 ESR1 (1.00) LTA4HESR1ESR2ALDH1A1KDM4E
SCHEMBL3873458 0.80 ESR1 (1.00) LTA4HESR1ESR2ALDH1A1KDM4E
Dihydroresveratrol SCHEMBL716856 0.78 LTA4H (1.00) LTA4HESR1ESR2ALDH1A1KDM4E
SCHEMBL715503 0.77 LTA4H (0.64) LTA4HESR1ESR2ALDH1A1KDM4E
SCHEMBL19105196 0.76 MAOB (0.71) ALDH1A1HTR1AADRA2ASLC6A2CYP2C19
Tyramine SCHEMBL3194280 0.75 TAAR1 (0.69) LTA4HESR1ESR2ALDH1A1KDM4E

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
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
CN-102369223-A Molecularly imprinted polymers COMMW SCIENT IND RES ORG 2012-03-07 CN 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 LTA4H 2696/4885ESR1 3086/4885ESR2 4013/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 LTA4H 2696/4885ESR1 3086/4885ESR2 4013/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 LTA4H 2696/4885ESR1 3086/4885ESR2 4013/4885

“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.