SCHEMBL457499

SCHEMBL457499

Cc1cccc(CCC(=O)Oc2cc(O)cc(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
FFAR4 Q5NUL3 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MAOB P27338 2/20 0.46
DAO P14920 1/20 0.46
FFAR1 O14842 2/20 0.45
AKR1C3 P42330 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL456324 0.86 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28122438 0.85 KMT2A (0.60) FFAR4KMT2AMEN1RAB9ATDP1
SCHEMBL457502 0.85 SLC5A1 (0.55) GPR84KMT2ATDP1L3MBTL1FFAR1
SCHEMBL455030 0.84 KMT2A (0.59) FFAR4KMT2AMEN1TDP1FFAR1
SCHEMBL454743 0.84 FFAR1 (0.46) FFAR4KMT2AMEN1GABRA1GABRG2
SCHEMBL1107166 0.80 SIRT2 (0.52) FFAR4KMT2AMEN1RAB9ATDP1
SCHEMBL28623133 0.79 TDP1 (0.48) FFAR4KMT2AMEN1RAB9ATDP1
SCHEMBL15094539 0.79 GPR84 (0.47) GPR84KMT2AMEN1RAB9ATDP1
SCHEMBL879289 0.78 CYP4F2 (0.58) FFAR4KMT2AMEN1RAB9ATDP1
SCHEMBL457128 0.78 SLC5A1 (0.62) KMT2AMEN1TDP1L3MBTL1FFAR1

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 3 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-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-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 (2 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 3816/4885FFAR4 3748/4885KMT2A 701/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E GPR84 3816/4885FFAR4 3748/4885KMT2A 701/4885

“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.