SCHEMBL958472

SCHEMBL958472

CC(C)CCC[C@H](C)CC(=O)CP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
LMNA P02545 2/20 0.41
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FDPS P14324 1/20 0.33
OTC P00480 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL959452 0.95 LMNA (0.40) BLMLMNAALDH1A1TDP1FDPS
SCHEMBL3737096 0.85 FDPS (0.48) FDPSLAP3
SCHEMBL9547924 0.85 FDPS (0.48) FDPSLAP3
SCHEMBL3741705 0.82 FDPS (0.52) FDPSLAP3
SCHEMBL6271680 0.82 BLM (0.56) BLMLMNAPTPN1ALDH1A1TDP1
SCHEMBL7948679 0.81 FDPS (0.45) BLMLMNATDP1FDPSMEN1
SCHEMBL9633869 0.81 BLM (0.41) BLMLMNAPTPN1MEN1KMT2A
SCHEMBL4943737 0.79 CA1 (0.37) BLMLMNAALDH1A1TDP1FDPS
SCHEMBL2982465 0.78 TDP1 (0.42) BLMLMNAALDH1A1TDP1MEN1
SCHEMBL2304432 0.77 KDM4C (0.39) BLMLMNAALDH1A1TDP1FDPS

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-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES PTGFR, PTGIS, PTGIR BLM 4806/4885LMNA 1814/4885PTPN1 4044/4885

“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.