SCHEMBL3328215

SCHEMBL3328215

CC(=O)OCC(CO)CCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
GABRR1 P24046 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRA1A P35348 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 4/20 0.33
USP2 O75604 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKCA P17252 1/20 0.31
ALOX15 P16050 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
SCHEMBL13175310 0.90 TDP1 (0.41) TDP1ALDH1A1HSD17B10LMNAGABRR1
Acetic Acid SCHEMBL8369041 0.86 GABRR1 (0.40) TDP1ALDH1A1HSD17B10LMNAGABRR1
SCHEMBL5358516 0.83 TDP1 (0.45) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL13459987 0.83 TDP1 (0.45) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL8839776 0.82 ALOX15 (0.42) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL7185162 0.82 ALDH1A1 (0.41) TDP1ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL3155490 0.79 GABRP (0.39) TDP1LMNAGABRR1MAPTMEN1
SCHEMBL8200830 0.77 LMNA (0.55) TDP1ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL8200825 0.77 LMNA (0.55) TDP1ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL8201157 0.77 LMNA (0.55) TDP1ALDH1A1LMNAKDM4ECYP3A4

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-20100137592-A1 PROCESS FOR PREPARING PURINE DERIVATIVE AUROBINDO PHARMA LTD (IN) 2010-06-03 US disclosed
EP-2170840-A1 AN IMPROVED PROCESS FOR PREPARING PURINE DERIVATIVE Aurobindo Pharma Ltd (IN) 2010-04-07 EP disclosed
WO-2008155613-A1 AN IMPROVED PROCESS FOR PREPARING PURINE DERIVATIVE AUROBINDO PHARMA LTD (IN) 2008-12-24 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-20100137592-A1 PROCESS FOR PREPARING PURINE DERIVATIVE TYMP, PNP, UMPS TDP1 407/4885ALDH1A1 1898/4885HSD17B10 3220/4885

“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.