SCHEMBL10071664

SCHEMBL10071664

COc1ccc(C2=C(c3ccc(OC)cc3)c3ccc(OC)cc3OC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.54
CYP19A1 P11511 1/20 0.51
ESR1 P03372 5/20 0.51
ESR2 Q92731 5/20 0.51
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 2/20 0.47
CYP3A4 P08684 2/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL2568239 0.90 PTGS1 (0.56) PTGS1CYP19A1ESR1ESR2MEN1
SCHEMBL10042948 0.90 MAPT (0.50) PTGS1CYP19A1ESR1ESR2MEN1
SCHEMBL243923 0.88 ESR1 (0.54) PTGS1CYP19A1ESR1ESR2
SCHEMBL22536183 0.87 ESR1 (0.61) PTGS1CYP19A1ESR1ESR2
SCHEMBL20997973 0.85 PREP (0.45) PTGS1CYP19A1ESR1ESR2
SCHEMBL10042949 0.83 PTGS1 (0.52) PTGS1CYP19A1ESR1ESR2MEN1
SCHEMBL5856012 0.83 PTGS1 (0.52) PTGS1CYP19A1ESR1ESR2MEN1
SCHEMBL2570226 0.80 CYP19A1 (0.56) PTGS1CYP19A1ESR1ESR2MEN1
SCHEMBL19295672 0.80 PREP (0.46) PTGS1CYP19A1ESR1ESR2MAPT
SCHEMBL4556517 0.79 ESR1 (0.46) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 PTGS1 2383/4885CYP19A1 2497/4885ESR1 1328/4885
US-20140170243-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 PTGS1 2383/4885CYP19A1 2497/4885ESR1 1328/4885
US-20120114766-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 PTGS1 2383/4885CYP19A1 2497/4885ESR1 1328/4885
US-20090317490-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 PTGS1 2383/4885CYP19A1 2497/4885ESR1 1328/4885
US-20160287555-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 PTGS1 2383/4885CYP19A1 2497/4885ESR1 1328/4885

“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.