SCHEMBL12413352

SCHEMBL12413352

CCCCC1Oc2cc(C)ccc2C=C1c1ccc(OC(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAOB P27338 2/20 0.38
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
FPR1 P21462 1/20 0.33
MEN1 O00255 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL12413330 0.94 LMNA (0.40) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL2181016 0.93 CA2 (0.39) LMNAMAOBHSD17B10KMT2AALOX5
SCHEMBL13970354 0.90 ESR1 (0.39) LMNAMAOBHSD17B10ALOX5NFKB1
SCHEMBL12413209 0.89 LMNA (0.42) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL2180114 0.86 ALOX5 (0.41) LMNAHSD17B10KMT2AALOX5NFKB1
SCHEMBL12413207 0.83 MAOB (0.40) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL13970355 0.83 ESR1 (0.44) LMNAHSD17B10ALOX5NFKB1NFKB2
SCHEMBL2183407 0.81 CA2 (0.41) LMNAHSD17B10KMT2APOLBALOX5
SCHEMBL12413215 0.81 LMNA (0.45) LMNAMAOBHSD17B10KMT2APOLB
SCHEMBL12413283 0.81 LMNA (0.45) LMNAMAOBHSD17B10KMT2APOLB

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 LMNA 2234/4885MAOB 580/4885HSD17B10 646/4885

“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.