SCHEMBL4549079

SCHEMBL4549079

Cc1ccc(C(=O)COc2cc(C)ccc2CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 5/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 1/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7843044 0.83 PTGDR2 (0.59) LMNATDP1SMN1; SMN2MAPTKDM4E
SCHEMBL7216454 0.80 LMNA (0.67) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL9390706 0.80 KDM4E (0.53) LMNAMAPK1TDP1MEN1KMT2A
SCHEMBL3609276 0.77 L3MBTL1 (0.54) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL4556801 0.76 TSHR (0.51) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11962350 0.75 MAPT (0.45) L3MBTL1TDP1MEN1KMT2ARAB9A
SCHEMBL11805816 0.75 LMNA (0.64) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL13950675 0.74 LMNA (0.57) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL11792885 0.74 MRGPRX4 (0.55) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL30697348 0.73 CTNNB1 (0.66) L3MBTL1MAPK1TDP1MEN1KMT2A

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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 L3MBTL1 4827/4885LMNA 1217/4885MAPK1 2157/4885

“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.