SCHEMBL4423039

SCHEMBL4423039

COc1ccc2c(c1)CCC(c1ccccc1NCCc1ccc(OCCN3CCCCC3)c(F)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
BACE1 P56817 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
NPY5R Q15761 1/20 0.37
ABCB1 P08183 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL225145 0.94 LTA4H (0.41) LTA4HBACE1HRH3ESR1ESR2
SCHEMBL226369 0.93 LTA4H (0.44) LTA4HBACE1HRH3SIGMAR1ESR1
SCHEMBL226420 0.89 ESR1 (0.46) LTA4HHRH3ESR1ESR2KCNH2
SCHEMBL228344 0.89 ESR1 (0.46) LTA4HHRH3ESR1ESR2KCNH2
SCHEMBL228692 0.89 ESR1 (0.46) LTA4HHRH3ESR1ESR2KCNH2
SCHEMBL229775 0.89 ESR1 (0.46) LTA4HHRH3ESR1ESR2KCNH2
SCHEMBL225521 0.88 ESR1 (0.46) LTA4HHRH3ESR1ESR2KCNH2
SCHEMBL228090 0.87 ESR1 (0.46) LTA4HHRH3ESR1ESR2KCNH2
SCHEMBL227567 0.86 LTA4H (0.42) LTA4HBACE1HRH3ESR1ESR2
SCHEMBL229530 0.86 HRH3 (0.47) LTA4HBACE1HRH3SIGMAR1ESR1

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 2 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US 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 (1 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 3180/4885BACE1 2935/4885HRH3 561/4885

“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.