SCHEMBL224240

SCHEMBL224240

COc1ccc2c(c1)CCC(Cc1ccccc1O)C2

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.66
CYP19A1 P11511 3/20 0.59
SIGMAR1 Q99720 2/20 0.55
HTR1A P08908 1/20 0.49
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP24A1 Q07973 2/20 0.45
CYP27A1 Q02318 1/20 0.45

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
SCHEMBL225869 0.79 CYP19A1 (0.50) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL224837 0.78 SIGMAR1 (0.56) CYP26A1CYP19A1SIGMAR1HTR1AADRA1D
SCHEMBL4623036 0.78 CYP26A1 (0.67) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL7288575 0.78 CYP26A1 (0.67) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL224714 0.77 ADRA1D (0.56) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL629921 0.77 CYP19A1 (0.64) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL629434 0.77 CYP19A1 (0.64) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL3157913 0.76 CYP19A1 (0.63) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL3149465 0.76 CYP19A1 (0.63) CYP26A1CYP19A1SIGMAR1HTR1ADRD2
SCHEMBL4622442 0.76 CYP19A1 (0.63) CYP26A1CYP19A1SIGMAR1HTR1ADRD2

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 CYP26A1 459/4885CYP19A1 22/4885SIGMAR1 778/4885
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 CYP26A1 857/4885CYP19A1 146/4885SIGMAR1 2885/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP26A1 440/4885CYP19A1 20/4885SIGMAR1 743/4885

“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.