SCHEMBL5054293

SCHEMBL5054293

C=CCC(C(C)c1ccccc1)P(=O)(O)CCCC1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL8164851 0.87 HPGD (0.40) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5054292 0.76 TDP1 (0.39) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5054412 0.70 HPGD (0.45) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5052978 0.70 HPGD (0.45) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5051230 0.70 HPGD (0.46) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5060117 0.69 HPGD (0.42) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5053107 0.69 HPGD (0.39) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL8058463 0.67 HPGD (0.43) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL8164849 0.66 TDP1 (0.40) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5059796 0.66 HPGD (0.46) HPGDCYP3A4CYP2D6CYP2C9PKM

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 HPGD 3806/4885CYP3A4 3219/4885CYP2D6 2882/4885

“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.