SCHEMBL6901465

SCHEMBL6901465

CC(=O)NCCCN(CCCCN(CCCNC(C)=O)C(C)=O)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
PAOX Q6QHF9 3/20 0.47
ADRA1A P35348 1/20 0.45
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD3 P35462 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
SCHEMBL6898519 0.98 HIF1A (0.60) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12244766 0.98 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13824881 0.94 KDM4E (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL20261071 0.91 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19726708 0.91 PAOX (0.63) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL23961769 0.88 CYP2D6 (0.44) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL18310182 0.87 KDM4E (0.50) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8428056 0.84 KDM4E (0.50) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19726659 0.83 KDM4E (0.40) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19925724 0.83 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US 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 (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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 KDM4E 4621/4885MAPK1 4795/4885HIF1A 1834/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 KDM4E 4482/4885MAPK1 4778/4885HIF1A 1763/4885

“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.