SCHEMBL2741689

SCHEMBL2741689

COc1ccc2c(c1)CC(c1cc(OC)ccc1C(=O)c1ccc(OCCN3CCCCC3)cc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
ESR1 P03372 11/20 0.49
ESR2 Q92731 11/20 0.49
LTA4H P09960 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GCGR P47871 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 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
SCHEMBL227592 0.85 LTA4H (0.54) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL228460 0.82 PSMB1 (0.56) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL228974 0.81 LTA4H (0.54) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL229242 0.80 MCHR1 (0.47) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL226459 0.80 MCHR1 (0.47) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL224755 0.79 MCHR1 (0.47) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL225919 0.78 PSMB1 (0.67) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL8599886 0.75 ESR1 (0.65) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL6423701 0.75 LTA4H (0.46) ESR1ESR2LTA4HHRH3
SCHEMBL227845 0.75 ESR1 (0.45) ESR1ESR2LTA4HKDM4EHRH3

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 4 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-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-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PSMB1 658/4885PSMB5 695/4885PSMB2 1056/4885

“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.