SCHEMBL2695932

SCHEMBL2695932

O=C(C=C(O)c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
CDC25B P30305 1/20 0.49
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PTPN1 P18031 1/20 0.45
PLK1 P53350 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.44
GPR52 Q9Y2T5 1/20 0.42
KMT2A Q03164 3/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 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
SCHEMBL26147200 1.00 NR4A1 (0.55) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL2695931 1.00 NR4A1 (0.55) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL27639968 0.80 NR4A1 (0.50) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL26147592 0.79 NR4A1 (0.58) NR4A1NR4A2NR4A3CDC25BMMP3
SCHEMBL2697713 0.79 KMT2A (0.53) NR4A1NR4A2NR4A3HDAC8CYP1A2
SCHEMBL2697711 0.79 KMT2A (0.53) NR4A1NR4A2NR4A3HDAC8CYP1A2
SCHEMBL2695419 0.78 PLA2G2D (0.47) CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2D
SCHEMBL2695416 0.78 PLA2G2D (0.47) CYP1A2CYP3A4CYP2D6CYP2C19PLA2G2D
SCHEMBL12063071 0.77 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C19PTPN1PLA2G2D
SCHEMBL979869 0.77 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C19PTPN1PLA2G2D

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.