SCHEMBL228740

SCHEMBL228740

COc1ccc2c(c1)CCC(Cc1ccc(OC)cc1NCc1ccc(OCCN3CCCCC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
LTA4H P09960 5/20 0.45
BACE1 P56817 1/20 0.45
CYP19A1 P11511 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
ESR1 P03372 2/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL228236 0.93 BACE1 (0.48) CYP26A1HRH3LTA4HBACE1CYP19A1
SCHEMBL225134 0.88 ESR1 (0.49) HRH3LTA4HBACE1ESR1HRH1
SCHEMBL227713 0.84 LTA4H (0.48) HRH3LTA4HESR1
SCHEMBL226148 0.84 LTA4H (0.48) HRH3LTA4HESR1
SCHEMBL4419894 0.83 LTA4H (0.48) HRH3LTA4HSIGMAR1ESR1
SCHEMBL230082 0.83 ESR1 (0.51) HRH3LTA4HBACE1ESR1HRH1
SCHEMBL229817 0.82 LTA4H (0.47) HRH3LTA4HESR1
SCHEMBL4426650 0.80 HRH3 (0.50) HRH3LTA4HBACE1SIGMAR1ESR1
SCHEMBL227793 0.79 LTA4H (0.46) HRH3LTA4HSIGMAR1ESR1
SCHEMBL227937 0.79 ESR1 (0.46) CYP26A1HRH3LTA4HESR1HRH1

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 459/4885HRH3 561/4885LTA4H 3180/4885
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 857/4885HRH3 114/4885LTA4H 3104/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP26A1 440/4885HRH3 583/4885LTA4H 2984/4885

“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.