SCHEMBL458223

SCHEMBL458223

O=C(CCc1ccc(F)cc1)Oc1cc(O)cc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.55
SLC5A2 P31639 2/20 0.55
AKR1C3 P42330 4/20 0.45
FFAR1 O14842 3/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KMT2A Q03164 2/20 0.42
LTA4H P09960 1/20 0.42
AKR1C2 P52895 1/20 0.41
DAO P14920 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
CALM1 P0DP23 1/20 0.41

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 0.84 GPR84 (0.47) SLC5A1SLC5A2KMT2ALTA4HCALM1
SCHEMBL455621 0.84 FFAR1 (0.50) SLC5A1SLC5A2FFAR1KMT2ALTA4H
SCHEMBL457502 0.84 SLC5A1 (0.55) SLC5A1SLC5A2AKR1C3FFAR1KMT2A
SCHEMBL454233 0.84 AKR1C3 (0.45) SLC5A1SLC5A2AKR1C3FFAR1KMT2A
SCHEMBL455030 0.84 KMT2A (0.59) SLC5A1SLC5A2AKR1C3FFAR1KMT2A
SCHEMBL457544 0.84 FFAR1 (0.45) FFAR1PTGS1FFAR4
SCHEMBL457128 0.83 SLC5A1 (0.62) SLC5A1SLC5A2FFAR1KMT2ACALM1
SCHEMBL15094007 0.82 GPR84 (0.51) SLC5A1SLC5A2KMT2ACALM1
SCHEMBL15093774 0.81 ALDH1A1 (0.44) SLC5A1SLC5A2FFAR1PTGS1KMT2A
SCHEMBL15093989 0.79 MMP1 (0.43) FFAR1FFAR4

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-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-9517994-B2 Antibacterial agents: phloroglucinol derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-13 US disclosed
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES HOWARD HUGHES MEDICAL INSTITUTE 2015-01-08 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-2013103969-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-07-11 WO 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 (3 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-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 SLC5A1 41/4885SLC5A2 78/4885AKR1C3 760/4885
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.