SCHEMBL4955090

SCHEMBL4955090

O=C(O)CCCCCCC/C=C\CCCCCCCCC[CH]O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.67
PPARD Q03181 5/20 0.67
PPARA Q07869 5/20 0.67
F7 P08709 5/20 0.67
F3 P13726 5/20 0.67
MAPT P10636 4/20 0.67
HSD17B10 Q99714 4/20 0.67
TERT O14746 3/20 0.67
PTPN1 P18031 3/20 0.67
BLM P54132 3/20 0.67
FABP4 P15090 3/20 0.67
LMNA P02545 3/20 0.67
ALOX15 P16050 3/20 0.67
CYP19A1 P11511 3/20 0.67
PTGS1 P23219 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
RECQL P46063 2/20 0.67
DUSP3 P51452 2/20 0.67
NR4A2 P43354 2/20 0.67
KMT2A Q03164 2/20 0.67

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
SCHEMBL10629296 0.93 LMNA (0.63) PPARGPPARDPPARAF7F3
SCHEMBL28938360 0.93 LMNA (0.63) PPARGPPARDPPARAF7F3
SCHEMBL1241102 0.93 LMNA (0.63) PPARGPPARDPPARAF7F3
SCHEMBL541950 0.93 LMNA (0.63) PPARGPPARDPPARAF7F3
SCHEMBL25293847 0.91 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL285160 0.91 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL2937778 0.91 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL864021 0.91 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL3113499 0.91 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL3898132 0.91 PPARG (0.78) PPARGPPARDPPARAF7F3

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-20080311184-A1 METHOD FOR DEVELOPING, TESTING, AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES IDEA AG (DE) 2008-12-18 US claimed
US-20070031483-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CEVC GREGOR 2007-02-08 US claimed

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-20070031483-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CUTA, ABCG2, PIGS PPARG 1449/4885PPARD 1989/4885PPARA 1111/4885

“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.