SCHEMBL13559331

SCHEMBL13559331

O=C(NCCO)c1ccc(-c2cccc(O)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MLLT1 Q03111 1/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
S1PR4 O95977 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FYN P06241 1/20 0.43

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
SCHEMBL4893613 0.84 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL20764223 0.81 ALDH1A1 (0.60) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL4897438 0.79 ALDH1A1 (0.64) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL23091255 0.77 CYP1A2 (0.69) ALDH1A1MAPTSMN1; SMN2NPC1HSD17B1
SCHEMBL31337212 0.77 PTPN1 (0.64) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL1313933 0.76 NR4A1 (0.69) ALDH1A1MAPTHSD17B1HSD17B2KDM4E
SCHEMBL4896955 0.76 ALDH1A1 (0.67) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL1317340 0.76 HSD17B1 (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL4893495 0.75 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL20764349 0.73 MAPT (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277444-A1 SYNTHESIS OF HYDROXYALKYL AMIDES FROM ESTERS JOHNSON & JOHNSON VISION CARE, INC. 2012-11-01 US disclosed
US-20120277444-A1 SYNTHESIS OF HYDROXYALKYL AMIDES FROM ESTERS JOHNSON & JOHNSON VISION CARE, INC. 2012-11-01 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-20120277444-A1 SYNTHESIS OF HYDROXYALKYL AMIDES FROM ESTERS HDHD5, HACL2, HRH3 ALDH1A1 348/4885RAB9A 3840/4885MAPT 4235/4885

“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.