SCHEMBL2569699

SCHEMBL2569699

COc1cccc(C2(O)c3ccc(O)cc3OCC2c2ccc(O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TTR P02766 1/20 0.41
GRIN2B Q13224 1/20 0.38
CYP19A1 P11511 3/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 3/20 0.37

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
SCHEMBL2570756 0.90 MEN1 (0.47) GRIN2BCYP19A1CHRNA1CHRNGCHRNB1
SCHEMBL2570060 0.88 ALOX15 (0.44) ESR1ESR2TTRCYP19A1KMT2A
SCHEMBL10042940 0.86 MEN1 (0.41) GRIN2BCYP19A1CHRNA1CHRNGCHRNB1
SCHEMBL2571819 0.84 ESR1 (0.48) ESR1ESR2TTRCYP19A1ALOX12
SCHEMBL2567280 0.83 ESR1 (0.43) ESR1ESR2TTRALOX12ALOX15
SCHEMBL2570841 0.80 ALOX15 (0.44) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2571217 0.79 ESR1 (0.46) ESR1ESR2TTRCYP19A1MAPT
SCHEMBL7589438 0.79 PTPN1 (0.37) ESR1ESR2CYP19A1MAPTMEN1
SCHEMBL10042945 0.75 ALOX12 (0.42) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5856395 0.74 PTPN1 (0.37) ESR1ESR2TTRCYP19A1ALOX12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794141-B1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MARSHALL EDWARDS INC (US) 2011-11-09 EP claimed
US-20160287555-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2016-10-06 US disclosed
US-20160287555-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2016-10-06 US disclosed
US-9381186-B2 Substituted chroman derivatives, medicaments and use in therapy MEI PHARMA, INC. (US) 2016-07-05 US disclosed
US-9381186-B2 Substituted chroman derivatives, medicaments and use in therapy MEI PHARMA, INC. (US) 2016-07-05 US disclosed
US-20150352074-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2015-12-10 US disclosed
US-20150352074-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2015-12-10 US disclosed
US-9138478-B2 Substituted chroman derivatives, medicaments and use in therapy MEI PHARMA, INC. (US) 2015-09-22 US disclosed
US-9138478-B2 Substituted chroman derivatives, medicaments and use in therapy MEI PHARMA, INC. (US) 2015-09-22 US disclosed
EP-2407462-B1 Substituted chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS INC (US) 2014-07-30 EP disclosed
US-20140170243-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MEI PHARMA, INC. (US) 2014-06-19 US disclosed
US-20120114766-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MARSHALL EDWARDS, INC. (US) 2012-05-10 US disclosed
US-20120114766-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MARSHALL EDWARDS, INC. (US) 2012-05-10 US disclosed
EP-2407462-A1 Substituted chroman derivatives, medicaments and use in therapy Marshall Edwards, Inc. (US) 2012-01-18 EP disclosed
US-8084628-B2 Substituted chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS, INC. (US) 2011-12-27 US disclosed
US-8084628-B2 Substituted chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS, INC. (US) 2011-12-27 US disclosed
US-20090317490-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD. (AU) 2009-12-24 US disclosed
US-20090317490-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD. (AU) 2009-12-24 US disclosed
US-7601855-B2 anticancer agents; chemotherapeutic selective agents NOVOGEN RESEARCH PTY LTD (AU) 2009-10-13 US disclosed
US-7601855-B2 anticancer agents; chemotherapeutic selective agents NOVOGEN RESEARCH PTY LTD (AU) 2009-10-13 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 (5 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-20150352074-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ESR1 1328/4885ESR2 1134/4885TTR 3212/4885
US-20140170243-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ESR1 1328/4885ESR2 1134/4885TTR 3212/4885
US-20120114766-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ESR1 1328/4885ESR2 1134/4885TTR 3212/4885
US-20090317490-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ESR1 1328/4885ESR2 1134/4885TTR 3212/4885
US-20160287555-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ESR1 1328/4885ESR2 1134/4885TTR 3212/4885

“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.