SCHEMBL457056

SCHEMBL457056

CC(Cc1ccccc1)C(=O)c1c(O)cc(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
LMNA P02545 1/20 0.51
CBS P35520 1/20 0.47
HPGD P15428 1/20 0.46
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN7 P35236 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
SCHEMBL18957635 0.84 MEN1 (0.56) GAAMAPTSLC5A1SLC5A2LMNA
SCHEMBL15649392 0.77 HPGD (0.49) MAPTLMNAHPGDCYP3A4TSHR
SCHEMBL8728691 0.75 MDM2 (0.66) MAPTLMNAHPGDCYP3A4TSHR
SCHEMBL3045939 0.75 CYP3A4 (0.53) MAPTLMNAHPGDCYP3A4MAPK1
SCHEMBL3055747 0.75 CYP3A4 (0.53) MAPTLMNAHPGDCYP3A4MAPK1
SCHEMBL8728688 0.75 MDM2 (0.66) MAPTLMNAHPGDCYP3A4TSHR
SCHEMBL65930 0.73 CYP1A2 (0.61) HPGDCYP3A4TSHRMAPK1RAB9A
SCHEMBL22066481 0.73 HPGD (0.59) HPGDCYP3A4TSHRMAPK1RAB9A
SCHEMBL265135 0.73 CYP1A2 (0.61) HPGDCYP3A4TSHRMAPK1RAB9A
SCHEMBL265577 0.73 CYP1A2 (0.61) HPGDCYP3A4TSHRMAPK1RAB9A

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 GAA 1233/4885MAPT 3980/4885SLC5A1 2423/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E GAA 1233/4885MAPT 3980/4885SLC5A1 2423/4885

“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.