SCHEMBL454233

SCHEMBL454233

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
PIK3CA P42336 1/20 0.43
FFAR1 O14842 2/20 0.43
SLC5A1 P13866 2/20 0.42
SLC5A2 P31639 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
DAO P14920 1/20 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
SCHEMBL4671096 0.85 KMT2A (0.55) KMT2AMEN1MAPTFFAR1HTT
SCHEMBL455621 0.84 FFAR1 (0.50) KMT2AMEN1CYP3A4MAPTHPGD
SCHEMBL457502 0.84 SLC5A1 (0.55) AKR1C3KMT2AMAPTFFAR1SLC5A1
SCHEMBL15094539 0.84 GPR84 (0.47) KMT2AMEN1CYP3A4MAPTHPGD
SCHEMBL458223 0.84 SLC5A1 (0.55) AKR1C3KMT2AFFAR1SLC5A1SLC5A2
SCHEMBL455030 0.84 KMT2A (0.59) AKR1C3KMT2AMEN1MAPTHPGD
SCHEMBL15093774 0.84 ALDH1A1 (0.44) KMT2AFFAR1SLC5A1SLC5A2L3MBTL1
SCHEMBL454743 0.84 FFAR1 (0.46) KMT2AMEN1HPGDFFAR1PLAAT3
SCHEMBL457128 0.83 SLC5A1 (0.62) KMT2AMEN1MAPTFFAR1SLC5A1
SCHEMBL15094007 0.82 GPR84 (0.51) KMT2ASLC5A1SLC5A2CALM1POLB

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 AKR1C3 490/4885KMT2A 701/4885MEN1 4706/4885
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 AKR1C3 760/4885KMT2A 1897/4885MEN1 1871/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E AKR1C3 490/4885KMT2A 701/4885MEN1 4706/4885

“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.