SCHEMBL68546

SCHEMBL68546

CCCCCCCCC(C)c1cc(O)cc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.55
PTGS2 P35354 3/20 0.50
CYP3A4 P08684 1/20 0.47
GPR84 Q9NQS5 2/20 0.45
KDR P35968 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL11615908 1.00 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84KDR
SCHEMBL11737358 1.00 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84KDR
SCHEMBL68950 1.00 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84KDR
SCHEMBL11808633 1.00 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84KDR
SCHEMBL69048 0.98 ADRB2 (0.57) ADRB2PTGS2CYP3A4GPR84KDR
SCHEMBL5916413 0.92 ADRB2 (0.56) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL14259760 0.86 ADRB2 (0.47) ADRB2PTGS2GPR84TSHRHIF1A
SCHEMBL5916418 0.84 ADRB2 (0.46) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL27627236 0.83 GPR84 (0.44) ADRB2GPR84KDRSPHK1
SCHEMBL31545655 0.82 ADRB2 (0.53) ADRB2PTGS2CYP3A4GPR84

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
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-7759526-B2 Pharmaceutical compositions comprising cannabidiol derivatives YISSUM RESEARCH DEVELOPMENT COMPANY (IL) 2010-07-20 US disclosed
EP-1289517-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING CANNABIDIOL DERIVATIVES YISSUM RES DEV CO (IL) 2005-11-16 EP disclosed
US-20030166727-A1 Pharmaceutical compositions comprising cannabidiol derivatives YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-09-04 US disclosed
EP-1289517-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING CANNABIDIOL DERIVATIVES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-03-12 EP disclosed
WO-2001095899-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING CANNABIDIOL DERIVATIVES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-12-20 WO disclosed
US-4876276-A ANALGESICS, ANTIEMETICS, AND ANTIGLAUCOMA AGENTS NO CANNABIMIMETIC EFFECTS YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1989-10-24 US disclosed
US-4179517-A DEVOID OF \"CANNABIS-TYPE\" CENTRAL NERVOUS SYSTEM ACTIVITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1979-12-18 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-20030166727-A1 Pharmaceutical compositions comprising cannabidiol derivatives CNR2, CNR1, FAAH ADRB2 764/4885PTGS2 296/4885CYP3A4 617/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ADRB2 1430/4885PTGS2 2866/4885CYP3A4 2028/4885

“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.