SCHEMBL2604722

SCHEMBL2604722

CC(=O)Oc1ccc(-c2coc3cc(C)ccc3c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
MAPT P10636 6/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
NPC1 O15118 6/20 0.72
KDM4E B2RXH2 5/20 0.72
RAB9A P51151 5/20 0.72
MAOB P27338 6/20 0.57
MAOA P21397 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TP53 P04637 4/20 0.57
CYP3A4 P08684 4/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
XDH P47989 1/20 0.57
BCL2 P10415 1/20 0.57

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
SCHEMBL12238020 0.93 RAB9A (0.80) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL1724568 0.91 MAPT (0.85) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL10338453 0.85 KDM4E (0.80) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2069145 0.85 RAB9A (0.80) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL10441792 0.84 MAPT (0.74) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL12289030 0.84 RAB9A (0.78) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL4434901 0.84 RAB9A (0.78) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL13640741 0.84 KDM4E (0.62) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL2070406 0.84 NPC1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL12892699 0.81 ALDH2 (0.78) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E

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-20150240275-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 US disclosed
US-20150238458-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY NOVOGEN RESEARCH PTY LTD (AU) 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 ALDH1A1 3444/4885MAPT 2679/4885SMN1; SMN2 3697/4885
US-20160136129-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALDH1A1 3444/4885MAPT 2679/4885SMN1; SMN2 3697/4885
US-20120172424-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALDH1A1 3444/4885MAPT 2679/4885SMN1; SMN2 3697/4885
US-20100330627-A1 ENZYME ASSOCIATED WITH EQUOL SYNTHESIS DHODH, DHPS, HPGD ALDH1A1 374/4885MAPT 3932/4885SMN1; SMN2 4816/4885
US-20140161908-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALDH1A1 3354/4885MAPT 1677/4885SMN1; SMN2 3767/4885
US-20120004296-A1 CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALDH1A1 3444/4885MAPT 2679/4885SMN1; SMN2 3697/4885

“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.