SCHEMBL5058002

SCHEMBL5058002

CCCC(C(C(=O)O)c1ccccc1)P(=O)(O)C(C)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
UGT2B7 P16662 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CETP P11597 1/20 0.37
MMP9 P14780 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5057945 0.81 CETP (0.43) PPARGPPARACETP
SCHEMBL5058008 0.77 PPARG (0.43) PPARGPPARAAKR1C3AKR1C2CYP2D6
SCHEMBL5053177 0.77 CYP2D6 (0.47) CYP2D6
SCHEMBL5053251 0.76 CYP2D6 (0.43) PPARGPPARACYP2D6
SCHEMBL5053049 0.74 CYP2D6 (0.47) CYP2D6CYP3A4
SCHEMBL5059837 0.73 CETP (0.46) PPARGPPARACETP
SCHEMBL5051294 0.72 HDAC1 (0.37) UGT2B7AKR1B1MMP9GLA
SCHEMBL5059742 0.72 UGT2B7 (0.43) UGT2B7AKR1B1AKR1C3AKR1C2SLC6A2
SCHEMBL5057913 0.71 AKR1C3 (0.38) PPARGPPARAUGT2B7AKR1B1AKR1C3
SCHEMBL11576841 0.71 UGT2B7 (0.51) PPARGPPARAUGT2B7AKR1B1AKR1C3

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-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 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 361/4885UGT2B7 233/4885

“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.