SCHEMBL2698489

SCHEMBL2698489

O=C(C=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SRD5A2 P31213 1/20 0.47
KIF11 P52732 4/20 0.46
CYP2C8 P10632 1/20 0.44
CYP1A1 P04798 1/20 0.43
MAOB P27338 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PTPN1 P18031 2/20 0.42
GSK3B P49841 2/20 0.42
MAP4K4 O95819 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC6A2 P23975 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
SCHEMBL2698488 1.00 NR4A1 (0.50) NR4A1NR4A2NR4A3ALDH1A1CES2
SCHEMBL25142176 0.95 NR4A1 (0.54) NR4A1NR4A2NR4A3ALDH1A1CES2
SCHEMBL2698826 0.87 RXRA (0.45) NR4A1NR4A2NR4A3ALDH1A1RXRA
SCHEMBL2698824 0.87 RXRA (0.45) NR4A1NR4A2NR4A3ALDH1A1RXRA
SCHEMBL2697768 0.83 MAPT (0.50) ALDH1A1CES2CES1RXRARXRB
SCHEMBL2697875 0.83 ALDH1A1 (0.44) ALDH1A1CES2CES1RXRARXRB
SCHEMBL2700542 0.83 CYP1A2 (0.54) ALDH1A1CES2CES1RXRARXRB
SCHEMBL2700543 0.83 CYP1A2 (0.54) ALDH1A1CES2CES1RXRARXRB
SCHEMBL2697879 0.83 ALDH1A1 (0.44) ALDH1A1CES2CES1RXRARXRB
SCHEMBL2700540 0.83 MAPT (0.50) ALDH1A1CES2CES1RXRARXRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 EP 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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 NR4A1 3642/4885NR4A2 3704/4885NR4A3 4014/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 NR4A1 3642/4885NR4A2 3704/4885NR4A3 4014/4885

“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.