SCHEMBL229632

SCHEMBL229632

COc1ccc2c(c1)CCC(c1c(C)cccc1NCc1ccc(OCCN3CCCCC3)c(F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
CACNA1B Q00975 3/20 0.38
BACE1 P56817 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
KDR P35968 2/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
MAPK14 Q16539 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HTR2C P28335 2/20 0.36

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
SCHEMBL227793 0.90 LTA4H (0.46) LTA4HCACNA1BHRH3ESR1ESR2
SCHEMBL226369 0.89 LTA4H (0.44) LTA4HCACNA1BBACE1HRH3ESR1
SCHEMBL227567 0.89 LTA4H (0.42) LTA4HCACNA1BBACE1HRH3ESR1
SCHEMBL1999767 0.87 LTA4H (0.40) LTA4HCACNA1BHRH3ESR1ESR2
SCHEMBL1999847 0.85 LTA4H (0.40) LTA4HCACNA1BBACE1HRH3HTR2C
SCHEMBL228220 0.84 CACNA1B (0.40) LTA4HCACNA1BHRH3ESR1ESR2
SCHEMBL226408 0.84 LTA4H (0.39) LTA4HCACNA1BBACE1HRH3HTR2C
SCHEMBL229049 0.84 ESR1 (0.40) LTA4HBACE1HRH3KDRLCK
SCHEMBL228411 0.84 LTA4H (0.44) LTA4HHRH3ESR1ESR2
SCHEMBL15888973 0.83 ESR1 (0.42) LTA4HHRH3KDRESR1ESR2

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 LTA4H 3180/4885CACNA1B 2849/4885BACE1 2935/4885
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 LTA4H 3104/4885CACNA1B 3443/4885BACE1 1518/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885CACNA1B 3040/4885BACE1 2668/4885

“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.