SCHEMBL9975540

SCHEMBL9975540

COC(=O)CCC/C=C\C/C=C\C/C=C\CC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PTGS2 P35354 1/20 0.53
PDE4D Q08499 1/20 0.53
ALOX5 P09917 2/20 0.52
OXER1 Q8TDS5 2/20 0.52
TSHR P16473 2/20 0.50
CNR1 P21554 3/20 0.48
CNR2 P34972 2/20 0.48
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
FAAH O00519 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL15634237 0.93 ALDH1A1 (0.56) NR1I2PTGS2ALOX5OXER1TSHR
SCHEMBL14241681 0.93 ALDH1A1 (0.56) NR1I2PTGS2ALOX5OXER1TSHR
SCHEMBL14166705 0.93 ALDH1A1 (0.56) NR1I2PTGS2ALOX5OXER1TSHR
SCHEMBL9003288 0.91 ALDH1A1 (0.58) NR1I2PTGS2ALOX5OXER1TSHR
SCHEMBL4444400 0.91 ALDH1A1 (0.58) NR1I2PTGS2ALOX5OXER1TSHR
SCHEMBL18102166 0.91 NR1I2 (0.51) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL4444402 0.91 ALDH1A1 (0.58) NR1I2PTGS2ALOX5OXER1TSHR
SCHEMBL17399522 0.87 ADORA3 (0.54) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL19387708 0.87 ADORA3 (0.54) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL3284068 0.86 AKT1 (0.49) ALOX5OXER1TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130302247-A1 SYNTHESIS OF FLUOROARACHIDONIC ACID AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-11-14 US disclosed
US-20130302247-A1 SYNTHESIS OF FLUOROARACHIDONIC ACID AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-11-14 US disclosed
US-8202893-B2 Cannabinergic lipid ligands UNIVERSITY OF CONNECTICUT (US) 2012-06-19 US disclosed
US-8202893-B2 Cannabinergic lipid ligands UNIVERSITY OF CONNECTICUT (US) 2012-06-19 US disclosed
US-20090163557-A1 Cannabinergic Lipid Ligands NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-25 US disclosed
US-20090163557-A1 Cannabinergic Lipid Ligands NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-25 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-20130302247-A1 SYNTHESIS OF FLUOROARACHIDONIC ACID AND METHODS OF USE THEREOF ALOX15B, ALOX15, ALOX5 NR1I2 3397/4885PGR 3173/4885ADORA3 158/4885
US-20090163557-A1 Cannabinergic Lipid Ligands FAAH, FAAH2, CNR2 NR1I2 692/4885PGR 2382/4885ADORA3 118/4885

“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.