SCHEMBL6264591

SCHEMBL6264591

CCCCCCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
MMP2 P08253 3/20 0.54
MMP3 P08254 1/20 0.54
MMP1 P03956 2/20 0.54
MMP8 P22894 2/20 0.54
MTNR1A P48039 1/20 0.53
CCKBR P32239 1/20 0.52
KCNA5 P22460 1/20 0.52
MMP7 P09237 1/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
KMT2A Q03164 1/20 0.52
TACR1 P25103 2/20 0.52
NMBR P28336 1/20 0.52

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
SCHEMBL5388724 0.94 MMP2 (0.51) BCHEMAPTTP53LMNATHRB
SCHEMBL5388718 0.94 MMP2 (0.51) BCHEMAPTTP53LMNATHRB
SCHEMBL5388714 0.94 MMP2 (0.51) BCHEMAPTTP53LMNATHRB
SCHEMBL8669153 0.89 ERAP2 (0.58) MAPTTACR1NMBR
SCHEMBL6245123 0.88 MEN1 (0.62) BCHEMAPTMMP2MMP1MMP8
SCHEMBL8384759 0.88 MEN1 (0.62) BCHEMAPTMMP2MMP1MMP8
SCHEMBL28377319 0.88 MEN1 (0.62) BCHEMAPTMMP2MMP1MMP8
SCHEMBL8384762 0.88 MEN1 (0.62) BCHEMAPTMMP2MMP1MMP8
SCHEMBL6244059 0.88 MEN1 (0.62) BCHEMAPTMMP2MMP1MMP8
SCHEMBL6244061 0.88 MEN1 (0.62) BCHEMAPTMMP2MMP1MMP8

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
EP-1113795-B1 TRYPTOPHANYL ESTERS AND THEIR N-ACYL DERIVATIVES FOR THE PREVENTION AND TREATMENT OF DISEASES CAUSED OR EXACERBATED BY OXIDATION PROCESSES MAX PLANCK GESELLSCHAFT (DE) 2005-07-13 EP claimed
US-20040176436-A1 Tryptophanyl-esters and their N-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes BEHL CHRISTIAN (DE) 2004-09-09 US claimed

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-20040176436-A1 Tryptophanyl-esters and their N-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes AADAT, KYNU, AADAC BCHE 325/4885MAPT 521/4885TP53 815/4885

“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.