SCHEMBL4717100

SCHEMBL4717100

NCCCCP(=O)(O)OC(=O)C(=O)OP(=O)(O)CCCCN

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
BLM P54132 2/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GABBR2 O75899 3/20 0.43
GABBR1 Q9UBS5 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
FDPS P14324 2/20 0.39
GABRR1 P24046 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4760429 0.93 LMNA (0.54) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL4100201 0.86 ALDH1A1 (0.48) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL9298019 0.77 BLM (0.46) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL5701297 0.77 GABBR2 (0.48) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL15281117 0.76 GABBR2 (0.46) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL17903235 0.76 GABBR2 (0.46) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL4311069 0.75 CA4 (0.38) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL6014054 0.75 LMNA (0.40) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL638964 0.74 ALDH1A1 (0.41) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL13587887 0.74 PPARD (0.57) LMNABLMCYP3A4NFKB1PMP22

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-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 LMNA 3741/4885BLM 3179/4885CYP3A4 1163/4885

“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.