SCHEMBL228376

SCHEMBL228376

COc1ccc2c(c1)CCC(c1ccc(OC)cc1C(N)CCc1ccc(OCc3ccccc3)cc1)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
GRIN2B Q13224 5/20 0.39
GRIN1 Q05586 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BCHE P06276 1/20 0.38
ABCB1 P08183 2/20 0.37

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
SCHEMBL227861 0.83 LTA4H (0.43)
SCHEMBL226598 0.81 BCHE (0.46) KDM1AMAOBMAOAGRIN2BGRIN1
SCHEMBL228377 0.80 BCHE (0.53) KDM1AMAOBMAOAGRIN2BGRIN1
SCHEMBL229597 0.70 ESR1 (0.41) GRIN2BGRIN1
SCHEMBL224573 0.70 DRD2 (0.46) KDM1AMAPT
SCHEMBL227691 0.68 KDM1A (0.46) KDM1AMAOBMAOAGRIN2BGRIN1
SCHEMBL224358 0.68 CYP26A1 (0.44) GRIN2BMAPT
SCHEMBL224357 0.67 CA1 (0.48) GRIN2BGRIN1MAPTBCHE
SCHEMBL227821 0.67 KDM1A (0.46) KDM1AMAOBMAOAGRIN2BGRIN1
SCHEMBL226670 0.66 KDM1A (0.49) KDM1AMAOBMAOAGRIN2BGRIN1

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

“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.