SCHEMBL454743

SCHEMBL454743

O=C(CCc1cccc(Cl)c1)Oc1cc(O)cc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NR4A2 P43354 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL457499 0.84 GPR84 (0.51) FFAR1FFAR4THRATHRBMAOB
SCHEMBL454233 0.84 AKR1C3 (0.45) FFAR1FFAR4THRBPLAAT3PLAAT5
SCHEMBL455030 0.83 KMT2A (0.59) FFAR1FFAR4KMT2AALDH1A1MEN1
SCHEMBL456324 0.82 GABRA1 (0.58) ALDH1A1TAAR1GABRA1GABRG2GABRB3
SCHEMBL646091 0.79 KMT2A (0.55) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9545043 0.77 KMT2A (0.54) FFAR1FFAR4THRATHRBPLAAT3
SCHEMBL456458 0.75 NR4A2 (0.42) FFAR1FFAR4PLAAT3PLAAT5PLAAT2
SCHEMBL458223 0.75 SLC5A1 (0.55) FFAR1FFAR4KMT2A
SCHEMBL901671 0.75 CYP4F2 (0.55) FFAR1FFAR4PLAAT3PLAAT5PLAAT2
SCHEMBL455621 0.75 FFAR1 (0.50) FFAR1FFAR4THRBMAOAMAOB

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 3748/4885THRA 2246/4885
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 FFAR1 4154/4885FFAR4 4407/4885THRA 4489/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E FFAR1 3274/4885FFAR4 3748/4885THRA 2246/4885

“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.