SCHEMBL2475041

SCHEMBL2475041

CCCCCc1cc2c(c([Sn](CCCC)(CCCC)CCCC)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.72
CNR1 P21554 9/20 0.72
ABHD12 Q8N2K0 3/20 0.72
ABHD6 Q9BV23 3/20 0.72
FAAH O00519 2/20 0.72
TRPM8 Q7Z2W7 2/20 0.72
GPR55 Q9Y2T6 2/20 0.72
NR1I2 O75469 1/20 0.72
LDHA P00338 1/20 0.72
GLRA1 P23415 1/20 0.72
GPR183 P32249 1/20 0.72
DRD3 P35462 1/20 0.72
ENPP2 Q13822 1/20 0.72
GPR18 Q14330 1/20 0.72
TRPA1 O75762 1/20 0.61
HTR1A P08908 1/20 0.61
TRPV1 Q8NER1 1/20 0.61
TRPV3 Q8NET8 1/20 0.61
TRPV6 Q9H1D0 1/20 0.61
TRPV4 Q9HBA0 1/20 0.61

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
SCHEMBL11937352 0.86 CNR2 (0.80) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL19410304 0.86 CNR2 (0.80) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL21974430 0.86 CNR2 (0.80) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL24134477 0.84 CNR2 (0.78) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31545781 0.84 CNR2 (0.74) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31544854 0.84 CNR2 (0.74) CNR2CNR1ABHD12ABHD6FAAH
SCHEMBL31545351 0.84 CNR2 (0.74) CNR2CNR1ABHD12ABHD6FAAH
Dronabinol SCHEMBL13394311 0.84 CNR2 (1.00) CNR2CNR1ABHD12ABHD6FAAH
Dronabinol SCHEMBL22705549 0.84 CNR2 (1.00) CNR2CNR1ABHD12ABHD6FAAH
Dronabinol SCHEMBL1227386 0.84 CNR2 (1.00) CNR2CNR1ABHD12ABHD6FAAH

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-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
EP-2376408-A2 FLUORINATION OF ORGANIC COMPOUNDS President and Fellows of Harvard College (US) 2011-10-19 EP disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 WO 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-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 CNR2 2832/4885CNR1 2702/4885ABHD12 2855/4885

“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.