SCHEMBL22492533

SCHEMBL22492533

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
GPR84 Q9NQS5 6/20 0.45
NFKB1 P19838 1/20 0.42
FAAH O00519 3/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
PSMD14 O00487 2/20 0.39
PLA2G1B P04054 2/20 0.39
MMP2 P08253 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL789882 1.00 FFAR1 (0.49) FFAR1FFAR4GPR84NFKB1FAAH
SCHEMBL9685329 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL1712736 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL11748318 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL910534 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL1712990 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL9685588 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL9334962 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL2397949 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR
SCHEMBL9200158 0.98 FFAR1 (0.52) FFAR1FFAR4GPR84FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332011-A1 TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-28 US disclosed
EP-3717453-A2 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF Ultragenyx Pharmaceutical Inc. (US) 2020-10-07 EP 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-20210332011-A1 TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS PTGES, PTGES2, PTGIS FFAR1 327/4885FFAR4 460/4885GPR84 231/4885

“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.