SCHEMBL17105752

SCHEMBL17105752

C=C(C)[C@H]1CCC(CO)=C[C@@H]1c1c(O)cc(C(C)(C)CCCCCC)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.62
CNR1 P21554 9/20 0.54
CNR2 P34972 12/20 0.53
TRPV1 Q8NER1 2/20 0.52
OPRM1 P35372 2/20 0.52
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
PDE9A O76083 1/20 0.52
ABCB11 O95342 1/20 0.52
LDHA P00338 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL17105786 1.00 DRD3 (0.62) DRD3CNR1CNR2TRPV1OPRM1
SCHEMBL30631337 1.00 DRD3 (0.62) DRD3CNR1CNR2TRPV1OPRM1
SCHEMBL23602381 1.00 DRD3 (0.62) DRD3CNR1CNR2TRPV1OPRM1
SCHEMBL17105761 0.91 DRD3 (0.52) DRD3CNR1CNR2TRPV1OPRM1
SCHEMBL25250564 0.89 DRD3 (0.54) DRD3CNR1CNR2TRPV1OPRM1
SCHEMBL9999799 0.87 CNR2 (0.71) CNR1CNR2TRPV1OPRM1MLNR
SCHEMBL23602301 0.87 CNR2 (0.71) CNR1CNR2TRPV1OPRM1MLNR
SCHEMBL17084877 0.87 CNR2 (0.71) CNR1CNR2TRPV1OPRM1MLNR
SCHEMBL17388524 0.86 DRD3 (0.49) DRD3CNR1CNR2TRPV1OPRM1
SCHEMBL17124385 0.86 OPRM1 (0.49) DRD3CNR1CNR2TRPV1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198223-A1 METHODS AND COMPOSITIONS RELATING TO ULTRAPURE 5-(1,1-DIMETHYLHEPTYL)-RESORCINOL CORBUS PHARMACEUTICALS, INC. 2021-07-01 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

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-20210198223-A1 METHODS AND COMPOSITIONS RELATING TO ULTRAPURE 5-(1,1-DIMETHYLHEPTYL)-RESORCINOL CNR1, DHCR24, CNR2 DRD3 696/4885CNR1 1/4885CNR2 3/4885
US-20150274623-A1 2-CYCLOALKYL RESORCINOL CANNABINERGIC LIGANDS CNR2, CNR1, OPRL1 DRD3 237/4885CNR1 2/4885CNR2 1/4885

“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.