SCHEMBL457074

SCHEMBL457074

Cc1ccccc1CCC(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
DAO P14920 1/20 0.42
MAOB P27338 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
NOTUM Q6P988 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL15648413 0.84 KMT2A (0.51) CYP4F2CYP4A11MAOBKMT2AMAPT
SCHEMBL457587 0.83 AKR1C3 (0.47) KMT2AMAPTMEN1ALDH1A1
SCHEMBL456458 0.82 NR4A2 (0.42) CYP4F2CYP4A11MAOBKMT2AMAPT
SCHEMBL15093989 0.82 MMP1 (0.43) MAOBFFAR1FFAR4
SCHEMBL15094248 0.79 MAOB (0.44) DAOMAOBHPGDALDH1A1FFAR1
SCHEMBL455030 0.78 KMT2A (0.59) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL457499 0.77 GPR84 (0.51) GPR84DAOMAOBKMT2ATHRA
SCHEMBL8656536 0.76 L3MBTL1 (0.45) KMT2AMAPTMEN1CYP3A4
SCHEMBL8914213 0.76 CYP4F2 (0.51) CYP4F2CYP4A11KMT2AMAPTMEN1
SCHEMBL457502 0.76 SLC5A1 (0.55) GPR84CYP4F2CYP4A11KMT2AMAPT

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 GPR84 3816/4885CYP4F2 3930/4885CYP4A11 3664/4885
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 GPR84 4030/4885CYP4F2 2834/4885CYP4A11 3893/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E GPR84 3816/4885CYP4F2 3930/4885CYP4A11 3664/4885

“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.