SCHEMBL17972723

SCHEMBL17972723

CC(C)CCCCCC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.50
PTGS2 P35354 7/20 0.50
MGLL Q99685 7/20 0.44
FAAH O00519 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL16405264 0.87 PTGS1 (0.63) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22353278 0.82 PTGS1 (0.65) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14868075 0.81 MGLL (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14868080 0.81 MGLL (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14962677 0.81 MGLL (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13078197 0.81 MGLL (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14868081 0.80 NAMPT (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21648875 0.80 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL406101 0.79 MGLL (0.67) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23870259 0.78 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1

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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 US disclosed
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 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 (6 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 PTGS1 4176/4885PTGS2 3369/4885MGLL 4429/4885
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM PTGS1 4772/4885PTGS2 4801/4885MGLL 4149/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 PTGS1 3676/4885PTGS2 2934/4885MGLL 4548/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 PTGS1 3791/4885PTGS2 3683/4885MGLL 4377/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 PTGS1 3791/4885PTGS2 3683/4885MGLL 4377/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 PTGS1 3676/4885PTGS2 2934/4885MGLL 4548/4885

“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.