SCHEMBL457544

SCHEMBL457544

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.45
FFAR4 Q5NUL3 2/20 0.45
PTGS1 P23219 1/20 0.43
PDPK1 O15530 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MAOB P27338 4/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NR3C2 P08235 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL15094007 0.87 GPR84 (0.51)
SCHEMBL458223 0.84 SLC5A1 (0.55) FFAR1FFAR4PTGS1
SCHEMBL28840395 0.82 KMT2A (0.55) FFAR1FFAR4PDPK1PLAAT3PLAAT5
SCHEMBL15093782 0.81 DAO (0.41) FFAR4PPARGPPARDPPARA
SCHEMBL457502 0.81 SLC5A1 (0.55) FFAR1
SCHEMBL455621 0.81 FFAR1 (0.50) FFAR1FFAR4PDPK1MAOBPPARD
SCHEMBL454233 0.81 AKR1C3 (0.45) FFAR1FFAR4PLAAT3PLAAT5PLAAT2
SCHEMBL15094539 0.81 GPR84 (0.47)
SCHEMBL455030 0.80 KMT2A (0.59) FFAR1FFAR4HDAC1
SCHEMBL457128 0.79 SLC5A1 (0.62) 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 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 FFAR1 3274/4885FFAR4 3748/4885PTGS1 3036/4885
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 FFAR1 4154/4885FFAR4 4407/4885PTGS1 1469/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E FFAR1 3274/4885FFAR4 3748/4885PTGS1 3036/4885

“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.