SCHEMBL2697722

SCHEMBL2697722

Cc1cc(C)cc(-c2ccc(C(O)=CC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.56
RXRB P28702 6/20 0.56
RXRG P48443 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TPMT P51580 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
LMNA P02545 2/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
KIF11 P52732 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2697721 1.00 RXRA (0.56) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL2697768 0.89 MAPT (0.50) RXRARXRBMAPTALDH1A1KDM4E
SCHEMBL2697770 0.89 MAPT (0.50) RXRARXRBMAPTALDH1A1KDM4E
SCHEMBL2700540 0.89 MAPT (0.50) RXRARXRBMAPTALDH1A1KDM4E
SCHEMBL25142179 0.84 MAPT (0.54) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL2696125 0.82 RXRA (0.56) RXRARXRBRXRGALDH1A1TPMT
SCHEMBL2696129 0.82 RXRA (0.56) RXRARXRBRXRGALDH1A1TPMT
SCHEMBL2698824 0.80 RXRA (0.45) RXRARXRBRXRGALDH1A1HDAC1
SCHEMBL2698826 0.80 RXRA (0.45) RXRARXRBRXRGALDH1A1HDAC1
SCHEMBL2700543 0.80 CYP1A2 (0.54) RXRARXRBRXRGALDH1A1HDAC1

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.