SCHEMBL6135625

SCHEMBL6135625

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OC3CCN(c4ccc(OC)cc4)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 2/20 0.52
NR4A1 P22736 1/20 0.52
MCL1 Q07820 1/20 0.52
ACACB O00763 2/20 0.51
NPC1 O15118 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
POLB P06746 3/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6135055 0.91 ACACB (0.49) ALDH1A1KMT2AMAPTRAB9AACACB
SCHEMBL6135141 0.86 CA1 (0.58) ALDH1A1KMT2AMAPTRAB9ANR4A1
SCHEMBL6134838 0.83 USP2 (0.48) ALDH1A1KMT2AMAPTRAB9ANR4A1
SCHEMBL6135044 0.82 MAPT (0.51) ALDH1A1KMT2AMAPTACACBPOLB
SCHEMBL6133632 0.80 HDAC3 (0.48) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL6135385 0.79 HRH3 (0.60) KMT2AMEN1HRH3
SCHEMBL6538953 0.78 CA1 (0.81) ALDH1A1KMT2AMAPTRAB9ANPC1
SCHEMBL30065043 0.77 ACACB (0.53) ACACB
SCHEMBL30065058 0.77 ACACB (0.53) ACACB
SCHEMBL6132706 0.77 ALDH1A1 (0.46) ALDH1A1MAPTACACB

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 3841/4885KMT2A 4492/4885MAPT 1629/4885

“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.