SCHEMBL229473

SCHEMBL229473

COc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 1/20 0.46
STS P08842 2/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MAPT P10636 4/20 0.45
RECQL P46063 1/20 0.45
EPHX2 P34913 1/20 0.43

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
SCHEMBL29775437 0.81 PDE4B (0.61) PDE4BHTTALDH1A1MEN1KMT2A
SCHEMBL23326298 0.81 PDE4B (0.61) PDE4BHTTALDH1A1MEN1KMT2A
SCHEMBL2314242 0.79 USP30 (0.54) ALDH1A1MMP1MMP9MMP13MMP3
SCHEMBL16136068 0.78 ALDH1A1 (0.63) HTTALDH1A1MEN1KMT2AHPGD
SCHEMBL30870509 0.78 ALDH1A1 (0.63) HTTALDH1A1MEN1KMT2AHPGD
SCHEMBL31284260 0.78 PDE4B (0.41) PDE4BALDH1A1MMP1MMP9MMP13
SCHEMBL23060497 0.77 PDE4B (0.64) PDE4BHTTALDH1A1MEN1KMT2A
SCHEMBL4435995 0.77 MAPT (0.70) HTTALDH1A1MEN1KMT2AHPGD
SCHEMBL1014844 0.77 STS (0.53) PDE4BHTTALDH1A1MEN1KMT2A
SCHEMBL19268020 0.77 GPR119 (0.51) ALDH1A1KDM4ESTSMAPTLMNA

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 PDE4B 4739/4885HTT 4661/4885ALDH1A1 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 PDE4B 4864/4885HTT 2359/4885ALDH1A1 2275/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PDE4B 4756/4885HTT 4740/4885ALDH1A1 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.