SCHEMBL455030

SCHEMBL455030

O=C(CCc1ccccc1)Oc1cc(O)cc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
SLC5A1 P13866 1/20 0.53
SLC5A2 P31639 1/20 0.53
FFAR1 O14842 4/20 0.50
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
APP P05067 1/20 0.49
KEAP1 Q14145 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 1/20 0.47
AKR1C3 P42330 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
HDAC1 Q13547 1/20 0.45
MEN1 O00255 1/20 0.45
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 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
SCHEMBL13978646 0.90 KMT2A (0.66) KMT2ATDP1MAPTFFAR1PDGFRB
SCHEMBL27744906 0.87 KMT2A (0.56) KMT2ATDP1GAAMAPTSLC5A1
SCHEMBL417493 0.85 KMT2A (0.69) KMT2ATDP1MAPTFFAR1PDGFRB
SCHEMBL457499 0.84 GPR84 (0.51) KMT2ATDP1FFAR1FFAR4AKR1C3
SCHEMBL1050111 0.84 KMT2A (0.73) KMT2ATDP1MAPTFFAR1PDGFRB
SCHEMBL17951284 0.84 KMT2A (0.78) KMT2ATDP1MAPTFFAR1PDGFRB
SCHEMBL457502 0.84 SLC5A1 (0.55) KMT2ATDP1MAPTSLC5A1SLC5A2
SCHEMBL455621 0.84 FFAR1 (0.50) KMT2ATDP1GAAMAPTSLC5A1
SCHEMBL454233 0.84 AKR1C3 (0.45) KMT2ATDP1GAAMAPTSLC5A1
SCHEMBL15094539 0.84 GPR84 (0.47) KMT2ATDP1GAAMAPTSLC5A1

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 KMT2A 701/4885TDP1 2397/4885GAA 1233/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E KMT2A 701/4885TDP1 2397/4885GAA 1233/4885

“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.