SCHEMBL6134835

SCHEMBL6134835

COCCCCCCCN1CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD11B1 P28845 1/20 0.43
PAOX Q6QHF9 1/20 0.42
DRD2 P14416 1/20 0.40
SLC29A1 Q99808 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 7/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
RAD52 P43351 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20745447 0.86 HSD11B1 (0.47) ALDH1A1HSD11B1DRD2RAB9AKDM4E
SCHEMBL16758742 0.86 HSD11B1 (0.47) ALDH1A1HSD11B1DRD2RAB9AKDM4E
SCHEMBL3052320 0.85 HSD11B1 (0.55) HSD11B1DRD2KDM4ETDP1KMT2A
SCHEMBL10927336 0.83 HRH3 (0.46) ALDH1A1PAOX
SCHEMBL11573327 0.83 HRH3 (0.46) ALDH1A1PAOX
SCHEMBL11570576 0.83 HRH3 (0.46) ALDH1A1PAOX
SCHEMBL11569007 0.83 HRH3 (0.46) ALDH1A1PAOX
SCHEMBL12156345 0.82 SLC29A1 (0.41) ALDH1A1HSD11B1PAOXDRD2SLC29A1
SCHEMBL26850000 0.82 HRH2 (0.47) ALDH1A1HSD11B1PAOXDRD2SLC29A1
SCHEMBL11574905 0.81

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 ALDH1A1 3841/4885HSD11B1 474/4885PAOX 1946/4885

“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.