SCHEMBL228557

SCHEMBL228557

COc1ccc(CCc2ccc(OC)cc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.60
FFAR1 O14842 4/20 0.55
BCHE P06276 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
GSTP1 P09211 2/20 0.52
MAOB P27338 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOD2 Q9HC29 1/20 0.48

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
SCHEMBL224511 0.89 MAOB (0.58) ABCB1FFAR1BCHEMEN1KMT2A
SCHEMBL227471 0.82 ESR2 (0.58) ABCB1FFAR1FFAR4MAOBMAPT
SCHEMBL228627 0.82 MAOB (0.58) ABCB1FFAR1BCHEGSTP1MAOB
SCHEMBL19091938 0.77 GSTP1 (0.63) ABCB1FFAR1BCHEMEN1KMT2A
SCHEMBL20367158 0.77 GSTP1 (0.63) ABCB1FFAR1BCHEMEN1KMT2A
SCHEMBL791985 0.77 MAOB (0.69) ABCB1BCHEMEN1KMT2AMAOB
SCHEMBL228610 0.76 CALM1 (0.49) ABCB1MAOB
SCHEMBL7685716 0.76 MAOB (0.56) FFAR1BCHEGSTP1MAOBMAPT
SCHEMBL7689083 0.76 MAPT (0.59) FFAR1BCHEGSTP1MAOBMAPT
SCHEMBL31464117 0.75 CYP4F2 (0.60) FFAR1FFAR4GSTP1MAOBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ABCB1 2543/4885FFAR1 328/4885BCHE 2880/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ABCB1 3575/4885FFAR1 2425/4885BCHE 2221/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ABCB1 1939/4885FFAR1 321/4885BCHE 2526/4885

“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.