SCHEMBL69216

SCHEMBL69216

CCCC(C)(C)c1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
CNR1 P21554 10/20 0.42
CNR2 P34972 9/20 0.42
AR P10275 1/20 0.39
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4263013 0.87 CNR1 (0.50) ESR1ESR2CNR1CNR2PTGS2
SCHEMBL5916439 0.85 CNR1 (0.56) CNR1CNR2PTGS2CYP3A4
SCHEMBL2027212 0.84 CNR1 (0.58) CNR1CNR2PTGS2
SCHEMBL69123 0.84 CNR1 (0.58) CNR1CNR2PTGS2
SCHEMBL31545799 0.84 CNR1 (0.58) CNR1CNR2PTGS2
SCHEMBL3436068 0.81 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2CNR1
SCHEMBL5648833 0.79 CNR1 (0.43) ESR1ESR2CNR1CNR2AR
SCHEMBL1835827 0.78 CNR2 (0.38) ESR1ESR2CNR1CNR2AR
SCHEMBL20243855 0.78 ESR1 (0.39) GABRA1GABRB2ESR1ESR2CNR1
SCHEMBL199692 0.77 ESR1 (0.65) ESR1ESR2CNR1CNR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284621-A1 CANNABINOIDS AND USES THEREOF CORBUS PHARMACEUTICALS, INC. 2021-09-16 US disclosed
US-20210284621-A1 CANNABINOIDS AND USES THEREOF CORBUS PHARMACEUTICALS, INC. 2021-09-16 US disclosed
US-9517989-B2 2-cycloalkyl resorcinol cannabinergic ligands NORTHEASTERN UNIVERSITY (US) 2016-12-13 US disclosed
US-20150274623-A1 2-CYCLOALKYL RESORCINOL CANNABINERGIC LIGANDS Northeastern Uiversity (US) 2015-10-01 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-20060183922-A1 CB2-selective cannabinoid derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 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 (4 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-20210284621-A1 CANNABINOIDS AND USES THEREOF CNR2, CNR1, FAAH GABRA1 558/4885GABRB2 750/4885ESR1 1768/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 GABRA1 1441/4885GABRB2 2705/4885ESR1 1265/4885
US-20060183922-A1 CB2-selective cannabinoid derivatives CNR2, CNR1, GPR18 GABRA1 259/4885GABRB2 237/4885ESR1 535/4885
US-20150274623-A1 2-CYCLOALKYL RESORCINOL CANNABINERGIC LIGANDS CNR2, CNR1, OPRL1 GABRA1 217/4885GABRB2 144/4885ESR1 3015/4885

“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.