SCHEMBL17299109

SCHEMBL17299109

C=C(CO)[C@@H]1CCC(C)=CC1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 1.00
ACE2 Q9BYF1 4/20 0.67
BCHE P06276 1/20 0.62
CNR2 P34972 4/20 0.60
CNR1 P21554 3/20 0.60
TRPV1 Q8NER1 2/20 0.60
MLNR O43193 1/20 0.60
NR1I2 O75469 1/20 0.60
PDE9A O76083 1/20 0.60
ABCB11 O95342 1/20 0.60
LDHA P00338 1/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2A6 P11509 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL19472315 0.93 OPRM1 (0.86) OPRM1ACE2BCHECNR2CNR1
SCHEMBL17299108 0.93 OPRM1 (0.86) OPRM1ACE2BCHECNR2CNR1
SCHEMBL7857365 0.93 OPRM1 (0.86) OPRM1ACE2BCHECNR2CNR1
SCHEMBL23934786 0.92 OPRM1 (0.85) OPRM1ACE2BCHECNR2CNR1
SCHEMBL17299110 0.92 OPRM1 (0.85) OPRM1ACE2BCHECNR2CNR1
SCHEMBL26113351 0.91 OPRM1 (0.84) OPRM1ACE2BCHECNR2CNR1
SCHEMBL30741333 0.90 OPRM1 (0.81) OPRM1ACE2BCHECNR2CNR1
SCHEMBL31177567 0.90 OPRM1 (0.81) OPRM1ACE2BCHECNR2CNR1
SCHEMBL29489984 0.88 OPRM1 (0.79) OPRM1ACE2BCHECNR2CNR1
SCHEMBL13940785 0.88 OPRM1 (0.79) OPRM1ACE2BCHECNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326078-A1 FLUORINATED CBD COMPOUNDS, COMPOSITIONS AND USES THEREOF UNIVERSIDADE DE SAO PAULO-USP (BR) 2017-11-16 US disclosed
US-9782360-B2 Fluorinated CBD compounds, compositions and uses thereof Universidade de Sao Paulo—USP (BR) 2017-10-10 US disclosed
US-20170197904-A1 FLUORINATED CBD COMPOUNDS, COMPOSITIONS AND USES THEREOF UNIVERSIDADE DE SAO PAULO-USP (BR) 2017-07-13 US disclosed
US-9447019-B2 Fluorinated CBD compounds, compositions and uses thereof UNIVERSIDADE DE SAO PAULO-USP (BR) 2016-09-20 US disclosed
US-20150344403-A1 FLUORINATED CBD COMPOUNDS, COMPOSITIONS AND USES THEREOF UNIVERSIDADE FEDERAL DO RIO GRANDE DO SUI- UFRGS (BR) 2015-12-03 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-20150344403-A1 FLUORINATED CBD COMPOUNDS, COMPOSITIONS AND USES THEREOF CNR2, CNR1, FXR1 OPRM1 274/4885ACE2 4762/4885BCHE 424/4885
US-20170197904-A1 FLUORINATED CBD COMPOUNDS, COMPOSITIONS AND USES THEREOF CNR2, CNR1, FXR1 OPRM1 274/4885ACE2 4762/4885BCHE 424/4885
US-20170326078-A1 FLUORINATED CBD COMPOUNDS, COMPOSITIONS AND USES THEREOF CNR2, CNR1, FXR1 OPRM1 274/4885ACE2 4762/4885BCHE 424/4885

“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.