SCHEMBL23928833

SCHEMBL23928833

CCC=COC=COC=CCCCCCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.62
F3 P13726 5/20 0.62
ALDH1A1 P00352 5/20 0.62
PPARG P37231 5/20 0.62
PPARD Q03181 5/20 0.62
PPARA Q07869 5/20 0.62
MAPT P10636 4/20 0.62
CYP19A1 P11511 4/20 0.62
HSD17B10 Q99714 4/20 0.62
BLM P54132 3/20 0.62
LMNA P02545 3/20 0.62
ALOX15 P16050 3/20 0.62
PTGS1 P23219 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
RECQL P46063 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 2/20 0.62
FFAR1 O14842 2/20 0.62
CYP3A4 P08684 2/20 0.62
HPGD P15428 2/20 0.62

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
SCHEMBL12653086 1.00 F7 (0.62) F7F3ALDH1A1PPARGPPARD
SCHEMBL23928832 1.00 F7 (0.62) F7F3ALDH1A1PPARGPPARD
SCHEMBL12653083 0.88 PPARG (0.76) F7F3ALDH1A1PPARGPPARD
SCHEMBL1603411 0.88 PPARG (0.76) F7F3ALDH1A1PPARGPPARD
Dodecanoate SCHEMBL31098927 0.88 PPARG (0.76) F7F3ALDH1A1PPARGPPARD
SCHEMBL1603409 0.88 PPARG (0.76) F7F3ALDH1A1PPARGPPARD
Stearic Acid SCHEMBL2014616 0.86 PPARG (0.63) F7F3ALDH1A1PPARGPPARD
SCHEMBL29378710 0.85 FASN (0.67) F7F3ALDH1A1PPARGPPARD
SCHEMBL12317625 0.85 ALDH1A1 (0.69) F7F3ALDH1A1PPARGPPARD
SCHEMBL2369985 0.82 FASN (0.78) F7F3ALDH1A1PPARGPPARD

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-20210331998-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS RETROTOPE, INC. 2021-10-28 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-20210331998-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS FADS1, FASN, FADS2 F7 2749/4885F3 3452/4885ALDH1A1 832/4885

“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.