SCHEMBL19200083

SCHEMBL19200083

C#CCCCC(=O)OCC(C)(COC(=O)CCCC#C)COC(=O)CCC/C=C\C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
CNR2 P34972 1/20 0.41
PTGS2 P35354 2/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PDE4D Q08499 1/20 0.37
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 2/20 0.32
CYP1A2 P05177 2/20 0.31

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
SCHEMBL21917201 0.87 CNR1 (0.41) CNR1CNR2
SCHEMBL27446373 0.82 NR1I2 (0.41) CNR1PTGS2NR1I2PGRADORA3
SCHEMBL20502641 0.80 CNR1 (0.38) CNR1CNR2PTGS2ALDH1A1MAPT
SCHEMBL21942132 0.78 ALOX5 (0.34) CNR1CNR2PTGS2MAPTALOX5
SCHEMBL27445171 0.78 ALOX5 (0.40) CNR1CNR2PTGS2ALDH1A1MAPT
SCHEMBL25809009 0.76 CNR1 (0.36) CNR1CNR2PTGS2ALDH1A1MAPT
SCHEMBL18532385 0.75 CNR1 (0.35) CNR1CNR2PTGS2MAPTALOX5
SCHEMBL27446460 0.74 ALDH1A1 (0.39) CNR1PTGS2NR1I2PGRADORA3
SCHEMBL16013197 0.74 CYP2D6 (0.39) CNR1CNR2PTGS2ALDH1A1MAPT
SCHEMBL21853661 0.74 CNR1 (0.35) CNR1CNR2PTGS2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-08-03 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 (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-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF CNR1 952/4885CNR2 702/4885PTGS2 10/4885

“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.