SCHEMBL2604717

SCHEMBL2604717

CC(=O)Oc1ccc(C2COc3cc(C)ccc3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.64
KCNH2 Q12809 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
ALOX12 P18054 3/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOB P27338 1/20 0.43

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
SCHEMBL242978 0.91 CYP19A1 (0.61) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL4432673 0.84 CYP19A1 (0.56) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL12052437 0.84 CYP19A1 (0.83) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL19410272 0.81 CYP19A1 (0.62) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL19410273 0.81 CYP19A1 (0.55) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL2070571 0.81 CYP19A1 (0.61) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL3957591 0.80 ALOX12 (0.53) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL12055312 0.80 ALOX12 (0.44) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL2742795 0.80 CYP19A1 (0.63) CYP19A1KCNH2TRPV1ALOX12ALOX15
SCHEMBL3956230 0.80 ALOX12 (0.46) CYP19A1KCNH2TRPV1ALOX12ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160136129-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2016-05-19 US disclosed
US-9198895-B2 Chroman derivatives, medicaments and use in therapy MEI PHARMA, INC. (US) 2015-12-01 US disclosed
US-20150238458-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 2015-08-27 US disclosed
US-20150240275-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 US disclosed
US-8993296-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8957109-B2 Chroman derivatives, medicaments and use in therapy MEI PHARMA, INC. (US) 2015-02-17 US disclosed
US-20140315264-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20140161908-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MEI PHARMA, INC. (US) 2014-06-12 US disclosed
US-8669088-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-20130150568-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-8461361-B2 Chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS, INC. (US) 2013-06-11 US disclosed
US-8399232-B2 Enzyme associated with equol synthesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-19 US disclosed
US-20120172424-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MARSHALL EDWARDS, INC. (US) 2012-07-05 US disclosed
US-8163795-B2 Chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS, INC. (US) 2012-04-24 US disclosed
US-20120004296-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MARSHALL EDWARDS, INC (US) 2012-01-05 US disclosed
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2010-12-30 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 (6 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-20150238458-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 CYP19A1 2946/4885KCNH2 4760/4885TRPV1 3783/4885
US-20160136129-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 CYP19A1 2946/4885KCNH2 4760/4885TRPV1 3783/4885
US-20120172424-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 CYP19A1 2946/4885KCNH2 4760/4885TRPV1 3783/4885
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS DHODH, DHPS, HPGD CYP19A1 31/4885KCNH2 4149/4885TRPV1 924/4885
US-20140161908-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 CYP19A1 1936/4885KCNH2 4711/4885TRPV1 3181/4885
US-20120004296-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 CYP19A1 2946/4885KCNH2 4760/4885TRPV1 3783/4885

“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.