SCHEMBL4104508

SCHEMBL4104508

CC=CC[C@@H](O)CCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
FFAR4 Q5NUL3 2/20 0.58
FAAH O00519 3/20 0.50
GPR84 Q9NQS5 8/20 0.47
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
MAPT P10636 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
PSMD14 O00487 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL4104510 1.00 FFAR1 (0.58) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL26088709 1.00 FFAR1 (0.58) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL4104505 1.00 FFAR1 (0.58) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL9245478 1.00 FFAR1 (0.58) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL11193975 0.98 FFAR1 (0.56) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL11193977 0.98 FFAR1 (0.56) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL449788 0.89 FFAR1 (0.64) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL449789 0.89 FFAR1 (0.64) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL8595782 0.89 FFAR1 (0.49) FFAR1FFAR4FAAHGPR84NFKB1
SCHEMBL11864171 0.83 FFAR1 (0.58) FFAR1FFAR4FAAHGPR84NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236976-B2 Processes for highly enantio- and diastereoselective synthesis of acyclic epoxy alcohols and allylic epoxy alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 US disclosed
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-06-25 US disclosed
WO-2005087755-A1 PROCESSES FOR HIGHLY ENANTIO-AND DIASTEREOSELECTIVE SYNTHESIS OF ACYCLIC EPOXY ALCOHOLS AND ALLYLIC EPOXY ALCOHOLS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-09-22 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-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols ADH1C, ADH1A, ADH5 FFAR1 869/4885FFAR4 1485/4885FAAH 871/4885

“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.