SCHEMBL2952875

SCHEMBL2952875

CCCCC(C)C(C)c1cc(O)cc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.53
PTGS2 P35354 3/20 0.42
CYP3A4 P08684 1/20 0.42
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
SCHEMBL68774 0.94 ADRB2 (0.54) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL11831177 0.93 ADRB2 (0.53) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL11828601 0.93 ADRB2 (0.53) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL2953489 0.93 ADRB2 (0.53) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL31545144 0.89 ADRB2 (0.50) ADRB2PTGS2CYP3A4TSHRHIF1A
Methoxymethane SCHEMBL11832518 0.88 ADRB2 (0.49) ADRB2PTGS2CYP3A4
SCHEMBL11301838 0.84 ADRB2 (0.46) ADRB2PTGS2CYP3A4ADRA1A
SCHEMBL2035092 0.81 ADRB2 (0.50) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL3239007 0.81 ESR1 (0.45) ADRB2PTGS2CYP3A4HIF1AADRA1A
SCHEMBL10652423 0.81 PTGS2 (0.51) ADRB2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-3962448-A CNS DEPRESSANTS, VETERINARY SMITHKLINE CORPORATION (US) 1976-06-08 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 (1 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

“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.