SCHEMBL5060429

SCHEMBL5060429

CCCCCCC(C(Cc1cc2ccccc2[nH]1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
CCKBR P32239 2/20 0.38
CCKAR P32238 1/20 0.38
PYGL P06737 2/20 0.38
LPAR3 Q9UBY5 2/20 0.37
LPAR1 Q92633 1/20 0.37
CETP P11597 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
SCHEMBL5060648 0.80 CETP (0.46) CETP
SCHEMBL5057932 0.79 CETP (0.44) CETP
SCHEMBL5053040 0.77 CCKBR (0.44) ADAMTS4DRD2DRD3CCKBR
SCHEMBL5052918 0.76 SLC1A3 (0.45)
SCHEMBL5053178 0.76 FFAR4 (0.43) CETP
SCHEMBL5053338 0.76 LPAR3 (0.42) LPAR3LPAR1CETP
SCHEMBL7929239 0.75 CETP (0.42) CETP
SCHEMBL5054496 0.75 CETP (0.40) CETP
SCHEMBL5053184 0.75 CETP (0.39) CETP
SCHEMBL7920074 0.74 DRD2 (0.39) DRD2DRD3CCKBRCETP

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 ADAMTS4 3483/4885DRD2 4130/4885DRD3 3530/4885

“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.