SCHEMBL2264260

SCHEMBL2264260

CC(C)(C)OC(=O)c1cc(O)cc(-c2cccc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ESR1 P03372 1/20 0.42
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
RELA Q04206 5/20 0.40
PTGER2 P43116 3/20 0.39
RXRA P19793 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KAT6A Q92794 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ERN1 O75460 1/20 0.38
RXRB P28702 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL3662228 0.86 NR4A2 (0.45) RXRANR1H2NR1H3
SCHEMBL2260815 0.80 NR4A2 (0.48) RXRANR1H2NR1H3
SCHEMBL4224819 0.78 ESR1 (0.55) ESR2ESR1
SCHEMBL30437641 0.78 ESR1 (0.55) ESR2ESR1
SCHEMBL2344130 0.76 SLC7A5 (0.52) RXRANR1H2NR1H3RXRB
SCHEMBL21228271 0.76 CA12 (0.54) HSD17B1HSD17B2RXRARXRBHPGDS
SCHEMBL4530957 0.75 CA12 (0.54) ESR2RELA
SCHEMBL39377 0.75 CA12 (0.59) ESR2RELA
SCHEMBL19301023 0.74 ESR2 (0.69) ESR2HSD17B1HSD17B2ESR1PIK3CD
SCHEMBL14880009 0.73 ERN1 (0.59) ERN1

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-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S ESR2 1431/4885HSD17B1 183/4885HSD17B2 246/4885

“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.