SCHEMBL12413367

SCHEMBL12413367

CC(=O)Oc1ccc(C2=Cc3ccc(C)cc3OC2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
LMNA P02545 4/20 0.42
PTGS1 P23219 8/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2181747 0.92 CA2 (0.44) PTGS2LMNAPTGS1HSD17B10KMT2A
SCHEMBL12413215 0.85 LMNA (0.45) PTGS2LMNAMAOBHSD17B10KMT2A
SCHEMBL12413283 0.85 LMNA (0.45) PTGS2LMNAMAOBHSD17B10KMT2A
SCHEMBL12413264 0.83 LMNA (0.43) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL12413295 0.82 LMNA (0.42) PTGS2LMNAMAOBHSD17B10KMT2A
SCHEMBL12413209 0.82 LMNA (0.42) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL12413254 0.82 LMNA (0.42) PTGS2LMNAMAOBHSD17B10KMT2A
SCHEMBL12413339 0.82 LMNA (0.42) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL12413244 0.81 LMNA (0.41) PTGS2LMNAMAOBHSD17B10KMT2A
SCHEMBL12413330 0.80 LMNA (0.40) PTGS2LMNAMAOBHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US 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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NFE2L2, PTGS2, PTGES2 PTGS2 2/4885LMNA 2234/4885PTGS1 5/4885

“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.