SCHEMBL2696129

SCHEMBL2696129

O=C(C=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
RXRB P28702 4/20 0.56
RXRG P48443 2/20 0.41
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PDK2 Q15119 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 3/20 0.36
ERN1 O75460 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TPMT P51580 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL2696125 1.00 RXRA (0.56) RXRARXRBRXRGS1PR1S1PR5
SCHEMBL2697875 0.89 ALDH1A1 (0.44) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2697879 0.89 ALDH1A1 (0.44) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL12685611 0.84 ALDH1A1 (0.48) ALDH1A1LMNAGAA
SCHEMBL2697721 0.82 RXRA (0.56) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2697722 0.82 RXRA (0.56) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2700540 0.80 MAPT (0.50) RXRARXRBMCL1ALDH1A1LMNA
SCHEMBL2700543 0.80 CYP1A2 (0.54) RXRARXRBRXRGBCL2L1ALDH1A1
SCHEMBL2698488 0.80 NR4A1 (0.50) RXRARXRBRXRGALDH1A1
SCHEMBL2697768 0.80 MAPT (0.50) RXRARXRBMCL1ALDH1A1LMNA

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 4 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-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 (1 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-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 RXRA 4346/4885RXRB 4387/4885RXRG 4178/4885

“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.