SCHEMBL2289043

SCHEMBL2289043

CCOC(=O)C#Cc1ccccc1OCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLIN1 O60240 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL16713296 0.88 L3MBTL1 (0.46) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL852401 0.85 FFAR1 (0.47) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL2292901 0.82 PTGDR2 (0.46) PTGDR2PTPN1NPC1RAB9ALMNA
SCHEMBL16673211 0.78 FFAR1 (0.49) PTPN1POLBTSHRALDH1A1L3MBTL1
SCHEMBL9372996 0.77 FFAR1 (0.47) NPC1MEN1KMT2ALMNATSHR
SCHEMBL28008689 0.76 FFAR1 (0.44) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL3650027 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4637931 0.75 PTGDR2 (0.47) PTGDR2LMNATSHRALDH1A1L3MBTL1
SCHEMBL6774626 0.75 GRM5 (0.46) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL19097699 0.75 GAA (0.40) PTGDR2NPC1RAB9AMEN1KMT2A

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 PTGDR2 1689/4885PTPN1 3950/4885NPC1 1199/4885

“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.