SCHEMBL224138

SCHEMBL224138

CCOCCC(NC(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
PRSS1 P07477 2/20 0.31
CTSG P08311 2/20 0.31
CTRB1 P17538 2/20 0.31
CMA1 P23946 2/20 0.31
THRB P10828 1/20 0.31
SELP P16109 1/20 0.30
GAA P10253 2/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP8 P22894 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4268811 0.84 MEN1 (0.31) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL10830748 0.79 CHRM1 (0.44) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL29029802 0.76 CA2 (0.50) PRSS1CTSGCTRB1CMA1
SCHEMBL5063480 0.76 SMN1; SMN2 (0.40) ALDH1A1TSHRTHRBGAAMGAM
SCHEMBL224143 0.75 ALDH1A1 (0.37) ALDH1A1TSHRPRSS1CTSGCTRB1
SCHEMBL1132971 0.75 MEN1 (0.31) GAAMEN1KMT2A
SCHEMBL4067055 0.73 MEN1 (0.30) GAAMEN1KMT2A
SCHEMBL657408 0.73 GABRR1 (0.45) ALDH1A1
SCHEMBL3641426 0.73 ALDH1A1 (0.31) ALDH1A1TSHRTHRBGAAMEN1
SCHEMBL559017 0.73 GRN (0.31) GAAMEN1KMT2A

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-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-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

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-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 2275/4885TSHR 740/4885PRSS1 4009/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885TSHR 148/4885PRSS1 3940/4885

“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.