SCHEMBL2292901

SCHEMBL2292901

COCOc1ccccc1C#CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
XDH P47989 1/20 0.43
FFAR1 O14842 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.41
PTPN1 P18031 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CLCN2 P51788 1/20 0.38
CAPN1 P07384 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NTSR1 P30989 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL12469659 0.84 L3MBTL1 (0.53) PTGDR2EGFRPOLBALDH1A1HPGD
SCHEMBL2289043 0.82 PTGDR2 (0.39) PTGDR2XDHFFAR1NPC1RAB9A
SCHEMBL670658 0.82 FFAR1 (0.52) PTGDR2FFAR1NPC1SMN1; SMN2POLB
SCHEMBL2289638 0.74 ALDH1A1 (0.36) PTGDR2XDHFFAR1NPC1RAB9A
SCHEMBL30772315 0.73 HSP90AA1 (0.48) FFAR1NPC1RAB9APTPN1SMN1; SMN2
SCHEMBL18587828 0.73 GAA (0.51) XDHNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2291084 0.73 NPC1 (0.37) PTGDR2XDHNPC1RAB9AEGFR
SCHEMBL29530857 0.73 GAA (0.51) XDHNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9272888 0.72 BRD4 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2290756 0.71 ALDH1A1 (0.61) NPC1RAB9AEGFRALDH1A1HPGD

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 1689/4885XDH 1471/4885FFAR1 2248/4885

“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.