SCHEMBL225658

SCHEMBL225658

CCOC(=O)C(C(=O)OCC)C(C)(C)Cc1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FFAR1 O14842 1/20 0.48
CTSK P43235 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
EPHX2 P34913 2/20 0.45

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
SCHEMBL227619 0.86 FFAR1 (0.50) FFAR1CTSKMEN1KMT2AEPHX2
SCHEMBL7350364 0.85 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL2173983 0.82 KMT2A (0.49) MAPK1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL12802501 0.82 PPARA (0.53) ALDH1A1CTSKMAPTKDM4EMEN1
SCHEMBL225659 0.79 CTBP2 (0.43) ALDH1A1FFAR1CTSKMEN1KMT2A
SCHEMBL2672357 0.78 ALDH1A1 (0.60) MAPK1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL8455735 0.77 CES2 (0.50) MAPK1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL17281 0.76 TAAR1 (0.60) MAPK1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL31506228 0.76 TAAR1 (0.60) MAPK1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL17280 0.76 TAAR1 (0.60) MAPK1L3MBTL1ALDH1A1TSHRTDP1

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 MAPK1 1484/4885L3MBTL1 3581/4885ALDH1A1 1111/4885
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 MAPK1 1633/4885L3MBTL1 422/4885ALDH1A1 2275/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MAPK1 1582/4885L3MBTL1 3847/4885ALDH1A1 1214/4885

“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.