SCHEMBL5054264

SCHEMBL5054264

CC(C(Cc1cccc2[nH]ccc12)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ANPEP P15144 4/20 0.41
ERAP2 Q6P179 4/20 0.41
ERAP1 Q9NZ08 4/20 0.41
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
HPGDS O60760 1/20 0.38
ACE P12821 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5057848 0.78 HPGDS (0.39) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL5059820 0.78 HPGDS (0.46) POLBANPEPERAP2ERAP1ITGB2
SCHEMBL5052931 0.78 FOLH1 (0.43) ANPEPERAP2ERAP1HPGDS
SCHEMBL5053247 0.74 HPGDS (0.37) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL5058014 0.72 ERAP2 (0.48) ANPEPERAP2ERAP1ACEALDH1A1
SCHEMBL7929178 0.72 DHPS (0.38) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL15559426 0.70 SMN1; SMN2 (0.47) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL5057917 0.70 FOLH1 (0.48) MEN1TSHRKMT2AALDH1A1
SCHEMBL5051248 0.70 ACP3 (0.45) ACEMEN1KMT2ATDP1ECE1
SCHEMBL1052199 0.69 MAPT (0.67) KDM4EMAPTAPAF1POLBRECQL

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 KDM4E 1768/4885MAPT 1556/4885APAF1 3124/4885

“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.