SCHEMBL229499

SCHEMBL229499

COc1ccc(-c2ccc3c(c2)CCC3=O)c(Nc2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
EBP Q15125 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
ESR1 P03372 5/20 0.51
MCHR1 Q99705 1/20 0.47
MAOB P27338 1/20 0.47
ESR2 Q92731 2/20 0.46
KDR P35968 1/20 0.44

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
SCHEMBL227663 0.89 HRH3 (0.61) HRH3ESR1MCHR1ESR2
SCHEMBL223831 0.86 ESR1 (0.51) HRH3EBPSIGMAR1ESR1MAOB
SCHEMBL228499 0.83 ESR1 (0.47) HRH3EBPSIGMAR1ESR1ESR2
SCHEMBL227652 0.80 EBP (0.49) HRH3EBPSIGMAR1ESR1MCHR1
SCHEMBL226405 0.78 ESR1 (0.42) HRH3EBPSIGMAR1ESR1MAOB
SCHEMBL228743 0.78 ESR1 (0.51) HRH3ESR1MCHR1ESR2
SCHEMBL228742 0.78 ESR1 (0.51) HRH3ESR1MCHR1ESR2
SCHEMBL225734 0.75 ESR1 (0.47) ESR1MCHR1ESR2KDR
SCHEMBL227676 0.75 ESR1 (0.52) EBPSIGMAR1ESR1MCHR1ESR2
SCHEMBL11881017 0.75 LTA4H (0.69) HRH3ESR1

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 HRH3 561/4885EBP 123/4885SIGMAR1 778/4885
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 HRH3 114/4885EBP 51/4885SIGMAR1 2885/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885EBP 107/4885SIGMAR1 743/4885

“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.