SCHEMBL149893

SCHEMBL149893

CC(=O)OC1Oc2ccccc2C(=O)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
MAOB P27338 3/20 0.40
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
AR P10275 1/20 0.40
POLB P06746 1/20 0.40
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
PTPN1 P18031 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL67633 0.76 POLB (0.46) CYP3A4ALOX15MAOBCYP19A1KDM4E
SCHEMBL10385537 0.75 POLB (0.46) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL501137 0.74 RET (0.49) CYP3A4MAOBCYP19A1KDM4EHSD17B10
SCHEMBL29963529 0.74 RET (0.49) CYP3A4MAOBCYP19A1KDM4EHSD17B10
SCHEMBL18885280 0.74 CYP19A1 (0.47) CYP3A4MAOBCYP19A1KDM4EHSD17B10
SCHEMBL21371327 0.74 CYP19A1 (0.47) CYP3A4MAOBCYP19A1KDM4EHSD17B10
SCHEMBL16376660 0.74 ESR1 (0.55) CYP3A4MAOBCYP19A1KDM4EHSD17B10
SCHEMBL3965026 0.71 CYP19A1 (0.47) CYP3A4MAOBCYP19A1KDM4EHSD17B10
SCHEMBL1892218 0.67 RET (0.51) CYP3A4ALOX15MAOBCYP19A1KDM4E
SCHEMBL69674 0.67 CYP19A1 (0.49) MAOBCYP19A1POLBALDH1A1MAPT

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 CYP3A4 2606/4885ALOX15 72/4885MAOB 1261/4885
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA CYP3A4 2606/4885ALOX15 72/4885MAOB 1261/4885

“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.