SCHEMBL6238907

SCHEMBL6238907

CCCCCCCCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.64
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
APEX1 P27695 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
BLM P54132 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MMP2 P08253 3/20 0.56

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
SCHEMBL6241872 1.00 TACR1 (0.64) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6241313 1.00 TACR1 (0.64) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6241302 1.00 TACR1 (0.64) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6239886 0.94 TACR1 (0.58) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6239892 0.94 TACR1 (0.58) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL3193567 0.91 TACR1 (0.69) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL3193569 0.91 TACR1 (0.69) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6245999 0.90 MEN1 (0.68) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6240498 0.90 MEN1 (0.68) TACR1MAPTMEN1KMT2ALMNA
SCHEMBL6245757 0.90 MEN1 (0.68) TACR1MAPTMEN1KMT2ALMNA

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
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
US-20010014695-A1 Tryptophanyl-esters and their n-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2001-08-16 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 (2 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 TACR1 4551/4885MAPT 521/4885MEN1 3270/4885
US-20010014695-A1 Tryptophanyl-esters and their n-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes AADAT, KYNU, AANAT TACR1 4354/4885MAPT 409/4885MEN1 3002/4885

“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.