SCHEMBL457502

SCHEMBL457502

Cc1ccc(CCC(=O)Oc2cc(O)cc(O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.55
SLC5A2 P31639 2/20 0.55
AKR1C3 P42330 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CALM1 P0DP23 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FFAR1 O14842 3/20 0.43

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
SCHEMBL15094539 0.88 GPR84 (0.47) SLC5A1SLC5A2LMNAMAPTGPR84
SCHEMBL457128 0.86 SLC5A1 (0.62) SLC5A1SLC5A2L3MBTL1LMNAMAPT
SCHEMBL457499 0.85 GPR84 (0.51) AKR1C3L3MBTL1GPR84KMT2ATDP1
SCHEMBL15094007 0.85 GPR84 (0.51) SLC5A1SLC5A2GPR84KMT2ACALM1
SCHEMBL455621 0.84 FFAR1 (0.50) SLC5A1SLC5A2LMNAMAPTKMT2A
SCHEMBL458223 0.84 SLC5A1 (0.55) SLC5A1SLC5A2AKR1C3KMT2ACALM1
SCHEMBL454233 0.84 AKR1C3 (0.45) SLC5A1SLC5A2AKR1C3L3MBTL1LMNA
SCHEMBL455030 0.84 KMT2A (0.59) SLC5A1SLC5A2AKR1C3MAPTKMT2A
SCHEMBL15093774 0.84 ALDH1A1 (0.44) SLC5A1SLC5A2L3MBTL1KMT2AALDH1A1
SCHEMBL457544 0.81 FFAR1 (0.45) FFAR1

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
US-10800725-B2 Arylpropionyl-triketone antibacterial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-13 US disclosed
US-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-31 US disclosed
WO-2012033846-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-03-15 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 (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-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885AKR1C3 490/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885AKR1C3 490/4885

“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.