SCHEMBL12413248

SCHEMBL12413248

CC(=O)Oc1ccc(C2=Cc3ccc(C)cc3OC2c2nccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 4/20 0.36
MAOB P27338 1/20 0.36
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
TSHR P16473 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MEN1 O00255 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL12503744 0.93 RAB9A (0.40) RAB9AHSD17B10LMNANFKB1NFKB2
SCHEMBL12413324 0.83 ESR1 (0.39) RAB9AHSD17B10LMNAMAOBNFKB1
SCHEMBL12413374 0.81 LMNA (0.40) HSD17B10LMNAMAOBNFKB1NFKB2
SCHEMBL12413304 0.80 RAB9A (0.44) RAB9ALMNAMAOBNFKB1NFKB2
SCHEMBL12413215 0.79 LMNA (0.45) RAB9AHSD17B10LMNAMAOBNFKB1
SCHEMBL12413283 0.79 LMNA (0.45) RAB9AHSD17B10LMNAMAOBNFKB1
SCHEMBL12413298 0.78 MAOB (0.39) RAB9AHSD17B10LMNAMAOBNFKB1
SCHEMBL12413264 0.77 LMNA (0.43) RAB9AHSD17B10LMNAMAOBNFKB1
SCHEMBL12413295 0.76 LMNA (0.42) RAB9AHSD17B10LMNAMAOBNFKB1
SCHEMBL12413367 0.76 PTGS2 (0.46) RAB9AHSD17B10LMNAMAOBNFKB1

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 RAB9A 4671/4885HSD17B10 646/4885LMNA 2234/4885

“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.