SCHEMBL227654

SCHEMBL227654

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CTBP2 P56545 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 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
SCHEMBL227359 0.87 ALDH1A1 (0.49) CYP1A2CTBP2MTNR1AMTNR1BALDH1A1
SCHEMBL12802274 0.81 CYP1A2 (0.54) CYP1A2CTBP2LMNAMEN1KMT2A
SCHEMBL2447966 0.79 CYP1A2 (0.52) CYP1A2CTBP2LMNAMEN1KMT2A
SCHEMBL13064708 0.79 TAAR1 (0.51) CTBP2ALDH1A1
SCHEMBL2036352 0.79 BLM (0.55) CYP1A2CTBP2MEN1KMT2APOLB
SCHEMBL29499675 0.79 BLM (0.55) CYP1A2CTBP2MEN1KMT2APOLB
SCHEMBL2036351 0.79 BLM (0.55) CYP1A2CTBP2MEN1KMT2APOLB
SCHEMBL473504 0.78 CYP2C19 (0.53) CYP1A2LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL28147801 0.78 TAAR1 (0.51) CYP1A2CTBP2MEN1KMT2AALDH1A1
SCHEMBL29922059 0.78 RIPK1 (0.47) MMP1MMP2MMP9MMP12GLA

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 9 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
US-6156761-A Substituted tetralone derivatives for enhancing cognition MERCK SHARPE & DOHME LIMITED (GB) 2000-12-05 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 (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 CYP1A2 1193/4885CTBP2 1333/4885LMNA 3237/4885
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 CYP1A2 3203/4885CTBP2 617/4885LMNA 1494/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP1A2 992/4885CTBP2 1496/4885LMNA 2894/4885

“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.