SCHEMBL227691

SCHEMBL227691

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(C)CCc1ccc(OCc3ccccc3)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
BCHE P06276 4/20 0.45
GRIN2B Q13224 4/20 0.43
GRIN1 Q05586 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FAAH O00519 2/20 0.40

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
SCHEMBL227821 0.95 KDM1A (0.46) KDM1AMAOAMAOBESR1ESR2
SCHEMBL226670 0.86 KDM1A (0.49) KDM1AMAOAMAOBESR1ESR2
SCHEMBL227705 0.84 GRIN2B (0.45) KDM1AMAOAMAOBESR1ESR2
SCHEMBL226578 0.84 ESR1 (0.48) ESR1ESR2MAPK1L3MBTL1GAA
SCHEMBL225128 0.83 LTA4H (0.44) MAOBESR1ESR2HRH3
SCHEMBL224187 0.82 KDM1A (0.49) KDM1AMAOAMAOBESR1ESR2
SCHEMBL228662 0.80 KDM1A (0.47) KDM1AMAOAMAOBGAAMAPT
SCHEMBL229488 0.80 HRH3 (0.44) ESR1ESR2MAPK1L3MBTL1HRH3
SCHEMBL228983 0.79 SMN1; SMN2 (0.54) KDM1AMAOAMAOBMAPK1L3MBTL1
SCHEMBL227690 0.79 ESR1 (0.59) KDM1AMAOAMAOBESR1ESR2

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 KDM1A 286/4885MAOA 3273/4885MAOB 3449/4885
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 KDM1A 332/4885MAOA 4367/4885MAOB 4319/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KDM1A 434/4885MAOA 3358/4885MAOB 3399/4885

“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.