SCHEMBL17612129

SCHEMBL17612129

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
PPARG P37231 6/20 1.00
CYP19A1 P11511 5/20 1.00
MAPT P10636 5/20 1.00
FFAR1 O14842 4/20 1.00
OXER1 Q8TDS5 3/20 1.00
RXRA P19793 2/20 1.00
PTGS1 P23219 5/20 0.77
F7 P08709 4/20 0.77
F3 P13726 4/20 0.77
PPARD Q03181 4/20 0.77
PPARA Q07869 4/20 0.77
KMT2A Q03164 3/20 0.77
ADORA3 P0DMS8 1/20 0.77
L3MBTL1 Q9Y468 3/20 0.71
KDM4E B2RXH2 2/20 0.71
MEN1 O00255 2/20 0.71
LMNA P02545 2/20 0.71
CYP3A4 P08684 2/20 0.71
HPGD P15428 2/20 0.71

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
Doconexent SCHEMBL288136 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185492 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18274973 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185536 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL14546282 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185432 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185380 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185510 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185468 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185516 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097753-A1 ALPHA-HYDROXYLATED FATTY-ACID METABOLITES, MEDICAL USES AND USE AS BIOMARKERS UNIVERSITAT DE LES ILLES BALEARS (ES) 2023-03-30 US disclosed
EP-4098649-A2 ALPHA-HYDROXYLATED FATTY-ACID METABOLITES, MEDICAL USES OF SAME AND USE AS BIOMARKERS Universitat de les Illes Balears (ES) 2022-12-07 EP disclosed
CN-115052852-A Alpha-hydroxylated fatty acid metabolites, medical uses thereof, and uses as biomarkers 巴利阿里群岛大学 2022-09-13 CN disclosed
US-9290486-B1 Compositions and methods for the treatment of epilepsy CELLIX BIO PRIVATE LIMITED (IN) 2016-03-22 US disclosed
US-9290486-B1 Compositions and methods for the treatment of epilepsy CELLIX BIO PRIVATE LIMITED (IN) 2016-03-22 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-20230097753-A1 ALPHA-HYDROXYLATED FATTY-ACID METABOLITES, MEDICAL USES AND USE AS BIOMARKERS FABP1, CYP27A1, FABP2 ALDH1A1 129/4885PPARG 115/4885CYP19A1 161/4885

“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.