SCHEMBL228874

SCHEMBL228874

COc1cc(CCCOS(C)(=O)=O)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
PTGS2 P35354 2/20 0.42
CYP19A1 P11511 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CALM1 P0DP23 2/20 0.40
AKR1B1 P15121 1/20 0.40
FKBP1A P62942 3/20 0.40
FUT7 Q11130 2/20 0.40
DAO P14920 1/20 0.40
APLNR P35414 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 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
SCHEMBL5709046 0.84 CHRM2 (0.54)
SCHEMBL1845841 0.83 APLNR (0.53) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL17168103 0.81 CA2 (0.42) ALDH1A1KDM4EPTGS2CYP19A1CA1
SCHEMBL4774294 0.80 CA12 (0.51) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL24581571 0.79 PTGS2 (0.50) ALDH1A1PTGS2CYP19A1CA1CA2
SCHEMBL30173751 0.79 KDM4E (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4529293 0.78 ALDH1A1 (0.44) ALDH1A1TSHRPTGS2CYP19A1CA1
SCHEMBL1843955 0.78 APLNR (0.51) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL10921798 0.77 MGLL (0.49) CA1CA2CA9
SCHEMBL16395010 0.77 CA2 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9

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 8 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
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 ALDH1A1 1111/4885KDM4E 708/4885USP2 3395/4885
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 ALDH1A1 2275/4885KDM4E 577/4885USP2 3826/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885KDM4E 718/4885USP2 3592/4885

“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.