SCHEMBL149892

SCHEMBL149892

CC(=O)OC1(c2ccccc2)COc2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
NOTUM Q6P988 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL2856269 0.83 PKM (0.39) ALDH1A1MAPTSMN1; SMN2PKMTSHR
SCHEMBL7500811 0.81 KDM4E (0.38) ALDH1A1MAPTSMN1; SMN2PKMTSHR
SCHEMBL28557922 0.73 MAOB (0.46) ALDH1A1ALOX15POLBKMT2APTGS2
SCHEMBL2107486 0.72 TSHR (0.42) ALDH1A1MAPTSMN1; SMN2PKMTSHR
SCHEMBL2025120 0.72 PKM (0.42) ALDH1A1MAPTPKMTSHRKMT2A
SCHEMBL2156979 0.71 PRKCA (0.44) ALDH1A1MAPTSMN1; SMN2PKMTSHR
SCHEMBL28636824 0.71 MIF (0.41) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL3517906 0.71 PKM (0.41) ALDH1A1MAPTPKMTSHRHSD17B10
SCHEMBL2852450 0.69 PKM (0.42) ALDH1A1MAPTSMN1; SMN2PKMTSHR
SCHEMBL29448029 0.68 PKM (0.47) ALDH1A1MAPTPKMTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526941-A1 Anti-inflammatory Modalities Marshall Edwards, Inc. (US) 2012-11-28 EP disclosed
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 US disclosed
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES NOVOGEN RESEARCH PTY LTD. (AU) 2009-05-21 US disclosed
EP-1861090-A1 ANTI-INFLAMMATORY MODALITIES Novogen Research Pty. Ltd. (AU) 2007-12-05 EP disclosed
WO-2006108212-A1 ANTI-INFLAMMATORY MODALITIES NOVOGEN RESEARCH PTY LTD (AU) 2006-10-19 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 (2 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-20120059176-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ALDH1A1 2628/4885MAPT 1933/4885SMN1; SMN2 4339/4885
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ALDH1A1 2628/4885MAPT 1933/4885SMN1; SMN2 4339/4885

“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.