SCHEMBL1433451

SCHEMBL1433451

Cc1cccc(-c2c(O)nc(C(C)(C)c3ccccc3)nc2O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.63
CNR1 P21554 6/20 0.63
PTPN5 P54829 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMO O15229 1/20 0.36
PIN1 Q13526 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ADORA1 P30542 1/20 0.36
ENPP1 P22413 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2112832 0.85 CNR2 (0.67) CNR2CNR1PTPN5RAB9ANPC1
SCHEMBL1433208 0.79 CNR2 (0.61) CNR2CNR1ESR1ESR2ALDH1A1
SCHEMBL3223353 0.79 CNR1 (0.65) CNR2CNR1RAB9AHPGDSMN1; SMN2
SCHEMBL1193140 0.78 CNR2 (0.50) CNR2CNR1PTPN5RAB9ANPC1
SCHEMBL31545530 0.78 CNR2 (1.00) CNR2CNR1PTPN5RAB9ANPC1
SCHEMBL1205807 0.78 CNR2 (1.00) CNR2CNR1PTPN5RAB9ANPC1
SCHEMBL1433555 0.73 CASP3 (0.41) CNR2CNR1RAB9ANPC1HPGD
SCHEMBL1491148 0.72 CNR2 (0.48) CNR2CNR1
SCHEMBL1238394 0.71 ESR1 (0.50) CNR2CNR1HPGDTSHRESR1
SCHEMBL1205246 0.71 CNR2 (1.00) CNR2CNR1PTPN5RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US claimed
EP-2299823-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE The University of Tennessee Research Foundation (US) 2011-03-30 EP claimed
WO-2009143183-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2009-11-26 WO claimed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US claimed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
US-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
US-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
WO-2010045377-A2 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2010-04-22 WO disclosed
WO-2010045377-A2 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2010-04-22 WO disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
WO-2009143183-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2009-11-26 WO disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 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 (2 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-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885PTPN5 948/4885
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885PTPN5 948/4885

“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.