SCHEMBL5057458

SCHEMBL5057458

CCCCC/C=C\C/C=C\CCCCCC(O)(O)C(O)(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
PPARG P37231 5/20 0.57
F7 P08709 4/20 0.57
F3 P13726 4/20 0.57
PPARD Q03181 4/20 0.57
PPARA Q07869 4/20 0.57
KDM4E B2RXH2 4/20 0.57
FFAR1 O14842 3/20 0.57
FABP3 P05413 3/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP19A1 P11511 2/20 0.57
FABP4 P15090 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
PTGS1 P23219 2/20 0.57
AKR1C3 P42330 2/20 0.57
NR4A2 P43354 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57

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
SCHEMBL11174759 0.95 TERT (0.53) ALDH1A1PPARGF7F3PPARD
SCHEMBL11174751 0.95 TERT (0.53) ALDH1A1PPARGF7F3PPARD
SCHEMBL7172289 0.85 FDPS (0.45) ALDH1A1PPARGPPARDPPARAFFAR1
SCHEMBL2358431 0.85 FDPS (0.45) ALDH1A1PPARGPPARDPPARAFFAR1
SCHEMBL2252775 0.84 ALDH1A1 (0.60) ALDH1A1PPARGF7F3PPARD
SCHEMBL2127719 0.84 ALDH1A1 (0.60) ALDH1A1PPARGF7F3PPARD
SCHEMBL28311961 0.84 ALDH1A1 (0.60) ALDH1A1PPARGF7F3PPARD
SCHEMBL28005771 0.83 FDPS (0.44) ALDH1A1PPARGPPARDPPARAFFAR1
SCHEMBL28006022 0.83 FDPS (0.44) ALDH1A1PPARGPPARDPPARAFFAR1
SCHEMBL17743991 0.82 ALDH1A1 (0.62) ALDH1A1PPARGF7F3PPARD

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-20080199912-A1 Methods for Obtaining Optically Active Epoxides and Diols from 2,3-Disubstituted and 2,3-Trisubstituted Epoxides OXYRANE (UK) LTD. (GB) 2008-08-21 US disclosed
EP-1896597-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND DIOLS FROM 2,3-DISUBSTITUTED AND 2,3-TRISUBSTITUTED EPOXIDES CSIR (ZA) 2008-03-12 EP disclosed
WO-2007069079-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND DIOLS FROM 2,3-DISUBSTITUTED AND 2,3-TRISUBSTITUTED EPOXIDES CSIR (US) 2007-06-21 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-20080199912-A1 Methods for Obtaining Optically Active Epoxides and Diols from 2,3-Disubstituted and 2,3-Trisubstituted Epoxides EPHX2, ERG28, EPHX1 ALDH1A1 319/4885PPARG 4798/4885F7 2774/4885

“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.