SCHEMBL226115

SCHEMBL226115

COc1ccc2c(c1)CC(C)(C)C(Br)C2O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2C P28335 1/20 0.38
ESR1 P03372 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR2A P28223 1/20 0.37
DRD1 P21728 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B1 P14061 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 2/20 0.36
DYRK1A Q13627 2/20 0.36
PRNP P04156 1/20 0.36

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
SCHEMBL10205792 0.76 CHRNA7 (0.46) LMNAHSD17B10HTR2CCHRNB2CHRNB4
SCHEMBL4140163 0.74 LMNA (0.50) LMNAHSD17B10HTR2CESR1CHRNA7
SCHEMBL9749054 0.74 LMNA (0.50) LMNAHSD17B10HTR2CESR1CHRNA7
SCHEMBL9749057 0.74 LMNA (0.50) LMNAHSD17B10HTR2CESR1CHRNA7
SCHEMBL13534235 0.71 CHRNB2 (0.47) HTR2CCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16060306 0.71 LMNA (0.50) LMNAHSD17B10HTR2CESR1CHRNA7
SCHEMBL10321639 0.70 DRD2 (0.47) HTR2CCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10321638 0.70 DRD2 (0.47) HTR2CCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL629387 0.69 HTR2C (0.50) LMNAHSD17B10HTR2CCHRNA7DRD1
SCHEMBL227930 0.69 METAP1 (0.47) SMN1; SMN2DYRK1APRNP

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 LMNA 3237/4885HSD17B10 751/4885HTR2C 1272/4885
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 LMNA 1494/4885HSD17B10 1892/4885HTR2C 4067/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LMNA 2894/4885HSD17B10 831/4885HTR2C 1073/4885

“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.