SCHEMBL615450

SCHEMBL615450

Oc1ccc2c(c1)OCC(c1ccc(Br)cc1)=C2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
RARA P10276 4/20 0.41
RARG P13631 4/20 0.41
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
RARB P10826 2/20 0.40
APP P05067 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MIF P14174 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 1/20 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
Idronoxil SCHEMBL29353213 0.90 ESR2 (0.49) TYRRARARARGESR2ESR1
Idronoxil SCHEMBL149612 0.90 ESR2 (0.49) TYRRARARARGESR2ESR1
SCHEMBL676933 0.84 TYR (0.45) TYRRARARARGESR2ESR1
SCHEMBL616344 0.84 RARA (0.46) TYRRARARARGESR2ESR1
SCHEMBL952469 0.81 NR1H4 (0.54) TYRRARARARGESR2RARB
SCHEMBL237510 0.79 TYR (0.43) TYRRARARARGESR2ESR1
SCHEMBL28660162 0.79 PTGS1 (0.48) RARARARGRARBMEN1KMT2A
SCHEMBL28668688 0.79 ALOX5 (0.45) RARARARGRARBAPPCYP3A4
SCHEMBL616710 0.76 RARA (0.49) TYRRARARARGRARBNR1H4
SCHEMBL677785 0.76 ESR2 (0.42) TYRRARARARGESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120039917-A1 IMMUNOMODULATING ACTIVITIES MARSHALL EDWARDS, INC. 2012-02-16 US disclosed
EP-2334296-A1 IMMUNOMODULATING ACTIVITIES Novogen Research Pty. Ltd. (AU) 2011-06-22 EP disclosed
WO-2010022467-A1 IMMUNOMODULATING ACTIVITIES NOVOGEN RESEARCH PTY LTD (AU) 2010-03-04 WO disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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 (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-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 TYR 699/4885RARA 743/4885RARG 312/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB TYR 811/4885RARA 2668/4885RARG 1604/4885

“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.