SCHEMBL15563003

SCHEMBL15563003

O=C(CCN1CCCCC1)c1ccc2c(c1)OCCCO2

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.90
MAPT P10636 5/20 0.90
HSD17B10 Q99714 2/20 0.90
HPGD P15428 5/20 0.82
MAOB P27338 3/20 0.82
HTT P42858 4/20 0.74
TP53 P04637 3/20 0.74
ALDH3A1 P30838 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
LMNA P02545 4/20 0.66
TAAR1 Q96RJ0 2/20 0.66
HIF1A Q16665 1/20 0.66
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
USP2 O75604 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPK1 P28482 1/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59

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
SCHEMBL668026 0.96 ALDH1A1 (0.97) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL29386543 0.94 ALDH1A1 (0.95) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL8107900 0.94 ALDH1A1 (0.95) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL12123672 0.85 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL12123816 0.81 ALDH1A1 (0.87) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL11797856 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL14578168 0.79 ACHE (0.72) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL10091954 0.79 HPGD (0.88) ALDH1A1MAPTHSD17B10HPGDTP53
SCHEMBL4259988 0.79 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10HPGDTP53
SCHEMBL29773054 0.78 ALDH1A1 (0.71) ALDH1A1MAPTHSD17B10HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US claimed
EP-2882430-A1 ANTIBACTERIAL INHIBITORS McMaster University (CA) 2015-06-17 EP claimed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO claimed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
EP-2882430-A1 ANTIBACTERIAL INHIBITORS McMaster University (CA) 2015-06-17 EP disclosed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 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-20150237857-A1 ANTIBACTERIAL INHIBITORS MRPL21, Q6ZSR9, SPOUT1 ALDH1A1 3080/4885MAPT 3540/4885HSD17B10 861/4885

“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.