SCHEMBL2741691

SCHEMBL2741691

COc1ccc2c(c1)CCC(c1cc(O)ccc1C(=O)c1ccc(OCCN3CCCCC3)c(F)c1)=C2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.43
ESR2 Q92731 14/20 0.43
KDR P35968 4/20 0.42

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
SCHEMBL225078 0.95 PSMB1 (0.40) ESR1ESR2KDR
SCHEMBL227135 0.85 PSMB1 (0.53) ESR1ESR2
SCHEMBL228619 0.79 LTA4H (0.48) ESR1ESR2
SCHEMBL227379 0.79 PSMB1 (0.49) ESR1ESR2KDR
SCHEMBL225638 0.78 PSMB1 (0.53) ESR1ESR2
SCHEMBL2741690 0.77 LTA4H (0.50) ESR1ESR2KDR
SCHEMBL8708988 0.73 ESR1 (0.67) ESR1ESR2
SCHEMBL225413 0.70 LTA4H (0.55)
SCHEMBL3092657 0.68 ESR1 (0.65) ESR1ESR2
SCHEMBL7116068 0.68 ESR1 (0.65) ESR1ESR2

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 ESR1 1/4885ESR2 3/4885KDR 884/4885

“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.