SCHEMBL227793

SCHEMBL227793

COc1ccc2c(c1)CCC(c1c(C)cccc1NCc1ccc(OCCN3CCCCCC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
HRH3 Q9Y5N1 4/20 0.43
CACNA1B Q00975 5/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MMP1 P03956 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL228411 0.91 LTA4H (0.44) LTA4HHRH3ESR1ESR2MMP1
SCHEMBL229632 0.90 LTA4H (0.41) LTA4HHRH3CACNA1BESR1ESR2
SCHEMBL228412 0.88 LTA4H (0.44) LTA4HHRH3ESR1ESR2EBP
SCHEMBL227713 0.88 LTA4H (0.48) LTA4HHRH3ESR1ESR2
SCHEMBL226148 0.88 LTA4H (0.48) LTA4HHRH3ESR1ESR2
SCHEMBL4426650 0.87 HRH3 (0.50) LTA4HHRH3CACNA1BESR1ESR2
SCHEMBL4419894 0.87 LTA4H (0.48) LTA4HHRH3CACNA1BESR1ESR2
SCHEMBL227937 0.84 ESR1 (0.46) LTA4HHRH3ESR1ESR2
SCHEMBL227113 0.84 ESR1 (0.46) HRH3ESR1ESR2
SCHEMBL229710 0.84 HRH3 (0.49) LTA4HHRH3CACNA1BESR1ESR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3180/4885HRH3 561/4885CACNA1B 2849/4885
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 3104/4885HRH3 114/4885CACNA1B 3443/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885HRH3 583/4885CACNA1B 3040/4885

“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.