SCHEMBL23765221

SCHEMBL23765221

C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCC)cc1OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.63
CNR2 P34972 6/20 0.62
OPRM1 P35372 2/20 0.62
CNR1 P21554 3/20 0.58
TRPV1 Q8NER1 2/20 0.58
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
PDE9A O76083 1/20 0.58
ABCB11 O95342 1/20 0.58
LDHA P00338 1/20 0.58
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2C9 P11712 1/20 0.58
DRD2 P14416 1/20 0.58

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
SCHEMBL23765310 0.83 BCHE (0.42) BCHECNR2OPRM1CNR1
SCHEMBL23160876 0.82 BCHE (0.80) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL19472310 0.82 BCHE (0.80) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL22848084 0.80 BCHE (0.77) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL22848082 0.80 BCHE (0.77) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL31546095 0.80 CNR2 (0.74) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL20181621 0.80 CNR2 (0.74) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL22848036 0.80 BCHE (0.95) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL25560685 0.80 OPRM1 (0.82) BCHECNR2OPRM1CNR1TRPV1
SCHEMBL3646527 0.80 BCHE (0.76) BCHECNR2OPRM1CNR1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230375561-A1 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES KADDURAH DAOUK RIMA F (US) 2023-11-23 US disclosed
US-20230375561-A1 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES KADDURAH DAOUK RIMA F (US) 2023-11-23 US disclosed
WO-2021163023-A1 STABLE FORMULATIONS OF DRONABINOL TRYAGx Labs Inc. (US) 2021-08-19 WO disclosed
US-20210251947-A1 STABLE FORMULATIONS OF DRONABINOL TRYAGx Labs Inc. 2021-08-19 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-20210251947-A1 STABLE FORMULATIONS OF DRONABINOL CNR2, CNR1, GPR18 BCHE 1928/4885CNR2 1/4885OPRM1 9/4885
US-20230375561-A1 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES SLC25A20, CPT2, NDUFAB1 BCHE 874/4885CNR2 91/4885OPRM1 2219/4885

“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.