SCHEMBL228890

SCHEMBL228890

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.51
MAPT P10636 4/20 0.48
F10 P00742 1/20 0.48
MCHR1 Q99705 1/20 0.48
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
AHR P35869 1/20 0.44
RECQL P46063 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL228983 0.87 SMN1; SMN2 (0.54) MAPTTP53GAANPC1RAB9A
SCHEMBL29193601 0.85 ESR1 (0.49) CYP26A1CA1CA2ACHEESR1
SCHEMBL22346108 0.85 ESR1 (0.49) CYP26A1CA1CA2ACHEESR1
SCHEMBL226397 0.85 MTNR1A (0.53) CYP26A1CA1CA2ACHEMTNR1A
SCHEMBL224755 0.83 MCHR1 (0.47) MCHR1ESR1ESR2
SCHEMBL229242 0.82 MCHR1 (0.47) MAPTMCHR1ESR1ESR2SMN1; SMN2
SCHEMBL226459 0.82 MCHR1 (0.47) MAPTMCHR1ESR1ESR2SMN1; SMN2
SCHEMBL225188 0.80 ESR1 (0.52) CYP26A1CA1CA2ACHEESR1
SCHEMBL226391 0.79 CYP26A1 (0.48) CYP26A1MAPTCA1CA2ACHE
SCHEMBL226505 0.79 CYP26A1 (0.43) CYP26A1MCHR1NPC1CA1CA2

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 CYP26A1 459/4885MAPT 3989/4885F10 2209/4885
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 CYP26A1 857/4885MAPT 2593/4885F10 1686/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP26A1 440/4885MAPT 3856/4885F10 1973/4885

“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.