SCHEMBL5053306

SCHEMBL5053306

CCCC(CC(CCC(=O)O)C(=O)O)P(=O)(O)C(CCC)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
FOLH1 Q04609 1/20 0.40
CPA3 P15088 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL5053268 0.84 FOLH1 (0.47) PPARGPPARAFOLH1
SCHEMBL5051213 0.78 FOLH1 (0.48) FOLH1
SCHEMBL5058006 0.77 GGH (0.50) PPARGPPARAHDAC1HDAC8
SCHEMBL5054448 0.77 PPARG (0.50) PPARGPPARAFOLH1HDAC1HDAC8
SCHEMBL5051289 0.76 FOLH1 (0.43) PPARGPPARAFOLH1CPA3
SCHEMBL5053310 0.76 CYP1A2 (0.48) FOLH1HDAC1HDAC8
SCHEMBL7618200 0.74 CPA3 (0.47) PPARGPPARAFOLH1CPA3HDAC1
SCHEMBL5060433 0.73 FOLH1 (0.50) FOLH1
SCHEMBL5053014 0.72 GGH (0.52) PPARGPPARAFOLH1HDAC1HDAC8
SCHEMBL5060138 0.71 CCKBR (0.39) PPARGPPARAHDAC1HDAC8

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-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-6025345-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL PPARG 751/4885PPARA 361/4885FOLH1 1/4885

“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.