SCHEMBL2571971

SCHEMBL2571971

COc1ccc(C2(O)c3ccc(OC)c(C)c3OCC2c2ccc(O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
ALOX12 P18054 3/20 0.38
BACE1 P56817 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
ATM Q13315 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
LTA4H P09960 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL2568306 0.96 ALOX15 (0.38) ALOX15ALOX12BACE1MAPTKDM4E
SCHEMBL10042947 0.90 ALOX15 (0.38) ALOX15ALOX12BACE1MAPTCHRNA1
SCHEMBL2570309 0.90 ALOX15 (0.43) ALOX15ALOX12MAPTCHRNA1CHRNG
SCHEMBL2563436 0.89 ALOX15 (0.40) ALOX15ALOX12BACE1MAPTKDM4E
SCHEMBL2563485 0.87 ALOX15 (0.46) ALOX15ALOX12BACE1MAPTKDM4E
SCHEMBL10042943 0.85 GAA (0.39) ALOX15ALOX12LMNACHRNA1CHRNG
SCHEMBL2570965 0.85 ALOX15 (0.40) ALOX15ALOX12BACE1MAPTKDM4E
SCHEMBL15906350 0.84 ALOX15 (0.35) ALOX15ALOX12MAPTKDM4ELMNA
SCHEMBL13673338 0.83 SMN1; SMN2 (0.38) ALOX15ALOX12BACE1MAPTKDM4E
SCHEMBL13673328 0.83 GAA (0.38) ALOX15ALOX12LMNACHRNA1CHRNG

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 11 patents. 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-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-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 (4 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 ALOX15 4170/4885ALOX12 4177/4885BACE1 4595/4885
US-20120114766-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALOX15 4170/4885ALOX12 4177/4885BACE1 4595/4885
US-20090317490-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALOX15 4170/4885ALOX12 4177/4885BACE1 4595/4885
US-20160287555-A1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY CDYL, XPA, TP53 ALOX15 4170/4885ALOX12 4177/4885BACE1 4595/4885

“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.