SCHEMBL3429869

SCHEMBL3429869

O=P(O)(O)OCCOCCNCCCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.38
LPAR3 Q9UBY5 8/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL3429975 0.89 SAT1 (0.42) SAT1LPAR3LPAR2LPAR1S1PR2
SCHEMBL3429864 0.86 SAT1 (0.38) SAT1LPAR3LPAR2LPAR1SMN1; SMN2
SCHEMBL3429508 0.85 SAT1 (0.50) SAT1LPAR3LPAR2LPAR1S1PR2
SCHEMBL30143641 0.78 SAT1 (0.45) SAT1LPAR3LPAR2LPAR1TSHR
SCHEMBL18359267 0.77 MEN1 (0.43) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL19860988 0.77 MEN1 (0.43) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL12733319 0.77 LPAR3 (0.50) LPAR3LPAR2LPAR1MEN1KMT2A
SCHEMBL3429685 0.77 LPAR3 (0.39) SAT1LPAR3LPAR2LPAR1SMN1; SMN2
SCHEMBL1627450 0.76 MEN1 (0.55) LPAR3LPAR2LPAR1MEN1KMT2A
SCHEMBL125343 0.76 MEN1 (0.55) LPAR3LPAR2LPAR1MEN1KMT2A

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-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SAT1 2675/4885LPAR3 3825/4885LPAR2 4113/4885

“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.