SCHEMBL228983

SCHEMBL228983

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(=O)c1ccc(OCc3ccccc3)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
SCD O00767 1/20 0.48
CASP3 P42574 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
SCHEMBL228662 0.89 KDM1A (0.47) SMN1; SMN2MAPTTP53GAAALDH1A1
SCHEMBL228890 0.87 CYP26A1 (0.51) SMN1; SMN2MAPTTP53GAANPC1
SCHEMBL226670 0.82 KDM1A (0.49) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL224755 0.82 MCHR1 (0.47) KDM4E
SCHEMBL226459 0.81 MCHR1 (0.47) SMN1; SMN2MAPTKDM4E
SCHEMBL229242 0.81 MCHR1 (0.47) SMN1; SMN2MAPTKDM4E
SCHEMBL227894 0.80 ESR1 (0.47) SMN1; SMN2TP53RAB9ATAOK1TAOK3
SCHEMBL227691 0.79 KDM1A (0.46) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL228095 0.79 MAOB (0.48) MAPTMAPK1KDM1AMAOAMAOB
SCHEMBL226397 0.78 MTNR1A (0.53)

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 SMN1; SMN2 4810/4885MAPT 3989/4885TP53 368/4885
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 SMN1; SMN2 3702/4885MAPT 2593/4885TP53 108/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 SMN1; SMN2 4839/4885MAPT 3856/4885TP53 417/4885

“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.