SCHEMBL227619

SCHEMBL227619

COc1cccc(CC(C)(C)C(C(=O)O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
CYP1A2 P05177 1/20 0.50
CTSK P43235 1/20 0.49
CTBP2 P56545 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
EPHX2 P34913 2/20 0.47

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
SCHEMBL225659 0.86 CTBP2 (0.43) FFAR1CYP1A2CTSKCTBP2MEN1
SCHEMBL225658 0.86 MAPK1 (0.53) FFAR1CTSKMEN1KMT2AEPHX2
SCHEMBL12802274 0.80 CYP1A2 (0.54) CYP1A2CTBP2MEN1KMT2ALMNA
SCHEMBL2447966 0.78 CYP1A2 (0.52) CYP1A2CTBP2MEN1KMT2ALMNA
SCHEMBL2036352 0.78 BLM (0.55) CYP1A2CTBP2MEN1KMT2A
SCHEMBL2036351 0.78 BLM (0.55) CYP1A2CTBP2MEN1KMT2A
SCHEMBL29499675 0.78 BLM (0.55) CYP1A2CTBP2MEN1KMT2A
SCHEMBL227654 0.78 CYP1A2 (0.55) CYP1A2CTBP2MEN1KMT2ALMNA
SCHEMBL28147801 0.77 TAAR1 (0.51) CYP1A2CTBP2MEN1KMT2A
SCHEMBL7350364 0.77 MAPK1 (0.47) FFAR1CTSKMEN1KMT2AEPHX2

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 FFAR1 328/4885CYP1A2 1193/4885CTSK 4272/4885
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 FFAR1 2425/4885CYP1A2 3203/4885CTSK 3117/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 FFAR1 321/4885CYP1A2 992/4885CTSK 4111/4885

“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.