SCHEMBL715503

SCHEMBL715503

Cc1cc(C)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 4/20 0.64
ESR2 Q92731 1/20 0.64
CA2 P00918 1/20 0.50
SLC28A3 Q9HAS3 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 5/20 0.48
ADRA2A P08913 3/20 0.48
SLC6A2 P23975 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HTR1A P08908 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL7067875 0.83 ESR1 (0.74) LTA4HESR1ESR2CA2TMEM97
SCHEMBL20179619 0.83 CALM1 (0.65) LTA4HESR1ESR2KDM4EPTGS1
SCHEMBL27950264 0.82 ESR1 (0.64) LTA4HESR1ESR2TMEM97SIGMAR1
SCHEMBL13252497 0.81 TAAR1 (0.57) LTA4HESR1ESR2CA2SLC28A3
SCHEMBL31545086 0.80 LTA4H (0.61) LTA4HESR1ESR2CA2SLC28A3
SCHEMBL21694277 0.80 PTGS1 (0.71) LTA4HESR1ESR2CA2SLC28A3
SCHEMBL3873458 0.80 ESR1 (1.00) LTA4HESR1ESR2CA2TMEM97
SCHEMBL69344 0.80 ESR1 (1.00) LTA4HESR1ESR2CA2TMEM97
SCHEMBL3690305 0.80 ALDH1A1 (0.44) ALDH1A1TAAR1ACHE
Dihydroresveratrol SCHEMBL716856 0.78 LTA4H (1.00) LTA4HESR1ESR2CA2SLC28A3

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 11 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
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 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.