SCHEMBL227616

SCHEMBL227616

CCOCCN(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.36
THRA P10827 1/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.33

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
SCHEMBL14411296 0.82 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ETHRBTHRA
SCHEMBL17555598 0.80 TSHR (0.43) ALDH1A1TSHRKDM4ETHRBBLM
SCHEMBL10976779 0.80 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ETHRBTHRA
SCHEMBL13162302 0.80 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ETHRBTHRA
SCHEMBL5933121 0.79 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETHRBTHRA
SCHEMBL25363263 0.78 BLM (0.38) ALDH1A1KDM4EBLMPMP22HSD17B10
SCHEMBL21458802 0.78 MEN1 (0.46) ALDH1A1TSHRKDM4ETHRBBLM
SCHEMBL21069994 0.78 MEN1 (0.46) ALDH1A1TSHRKDM4ETHRBBLM
SCHEMBL21069229 0.78 MEN1 (0.46) ALDH1A1TSHRKDM4ETHRBBLM
SCHEMBL28849721 0.78 BLM (0.42) ALDH1A1KDM4EBLMPMP22HSD17B10

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 6 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
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 (2 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 ALDH1A1 1111/4885TSHR 164/4885KDM4E 708/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885TSHR 148/4885KDM4E 718/4885

“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.