SCHEMBL67775

SCHEMBL67775

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ADRA1A P35348 2/20 0.46
OPRM1 P35372 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 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
SCHEMBL31544929 0.88 ESR1 (0.58) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL11503300 0.84 OPRM1 (0.49) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL19017738 0.80 FOLH1 (0.45) LMNAADRA1ACYP3A4CYP2C9ADRB2
SCHEMBL9918287 0.79 OPRM1 (0.66) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL9918290 0.79 OPRM1 (0.66) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL4634694 0.77 ESR1 (0.78) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL21138174 0.77 ADRB2 (0.39) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL69138 0.76 ALOX15 (0.48) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL19688904 0.75 HKDC1 (0.41) LMNAADRA1AOPRM1CYP3A4CYP2C9
SCHEMBL11830368 0.75 ADRB2 (0.51) LMNAADRA1AOPRM1CYP3A4CYP2C9

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-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
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
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 (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-20030166727-A1 Pharmaceutical compositions comprising cannabidiol derivatives CNR2, CNR1, FAAH LMNA 2253/4885ADRA1A 1078/4885OPRM1 18/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 LMNA 2207/4885ADRA1A 351/4885OPRM1 692/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP LMNA 1921/4885ADRA1A 4459/4885OPRM1 4515/4885

“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.