SCHEMBL69442

SCHEMBL69442

CCC(C)CC(C)C(C)c1cc(O)cc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
ADRA1A P35348 1/20 0.38
SLC22A1 O15245 1/20 0.35
OPRM1 P35372 1/20 0.35
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP7 P55210 1/20 0.33
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL68797 0.84 ADRB2 (0.42) ADRB2TSHRHIF1AADRA1ASLC22A1
SCHEMBL16984606 0.81 ESR1 (0.50) TSHRHIF1AADRA1AOPRM1LMNA
SCHEMBL2952875 0.73 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL27679481 0.72 LMNA (0.43) ADRA1ALMNAKMT2AMEN1
SCHEMBL68774 0.72 ADRB2 (0.54) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL27665518 0.72 KYNU (0.49) HIF1ALMNAKMT2ACYP3A4CYP2C9
SCHEMBL11831177 0.70 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL19333069 0.70 ESR1 (0.33) TSHRADRA1AOPRM1LMNACYP3A4
SCHEMBL11828601 0.70 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL2953489 0.70 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4

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 764/4885TSHR 4623/4885HIF1A 2342/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ADRB2 1430/4885TSHR 3263/4885HIF1A 1324/4885

“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.