SCHEMBL3226529

SCHEMBL3226529

O=C(NCC(O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 3/20 0.62
BCAT2 O15382 1/20 0.57
HTT P42858 1/20 0.54
KDM4E B2RXH2 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
SYK P43405 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL15317909 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL13569333 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL16553626 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL13569336 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL13569342 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL1554809 0.88 CA1 (0.58) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL13569327 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL14019069 0.85 LMNA (0.66) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL5019087 0.85 LMNA (0.61) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL4443866 0.85 AOC3 (0.55) SMN1; SMN2NPC1RAB9ALMNATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-7632972-B2 Reacting an acid and an amine; apoptosis; carbamate, and N-phenethyl-2-phenylacetamide THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLIONIS (US) 2009-12-15 US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 US disclosed
US-20050197511-A1 Compounds and methods for treatment of cancer and modulation of programmed cell death for melanoma and other cancer cells NATIONAL SCIENCE FOUNDATION 2005-09-08 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 (3 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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 SMN1; SMN2 3792/4885NPC1 572/4885RAB9A 1969/4885
US-20050197511-A1 Compounds and methods for treatment of cancer and modulation of programmed cell death for melanoma and other cancer cells BAD, MCL1, CASP3 SMN1; SMN2 2432/4885NPC1 4362/4885RAB9A 3765/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 SMN1; SMN2 3792/4885NPC1 572/4885RAB9A 1969/4885

“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.