SCHEMBL5054292

SCHEMBL5054292

C=CCC(C(C)c1ccccc1)P(=O)(O)C(CC)C1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SLC6A3 Q01959 2/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8164849 0.88 TDP1 (0.40) TDP1SLC6A3HPGDGAABRD4
SCHEMBL5054293 0.76 HPGD (0.41) TDP1HPGDGAAALDH1A1KDM4E
SCHEMBL5054408 0.72 TDP1 (0.46) TDP1SLC6A3HPGDGAABRD4
SCHEMBL5052976 0.71 SLC6A3 (0.45) TDP1SLC6A3HPGDGAABRD4
SCHEMBL5051228 0.71 TDP1 (0.46) TDP1SLC6A3HPGDGAAKMT2A
SCHEMBL6037832 0.69 TDP1 (0.39) TDP1SLC6A3HPGDGAABRD4
SCHEMBL5060114 0.67 SLC6A3 (0.41) TDP1SLC6A3HPGDGAABRD4
SCHEMBL5051183 0.66 FOLH1 (0.31) ALDH1A1
SCHEMBL8164851 0.65 HPGD (0.40) HPGDALDH1A1LMNAHTTCYP2C19
SCHEMBL5059792 0.65 HPGD (0.45) TDP1SLC6A3HPGDGAABRD4

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 TDP1 4298/4885SLC6A3 1060/4885HPGD 3806/4885

“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.