SCHEMBL224714

SCHEMBL224714

COc1ccc(CCNc2ccccc2CC2CCc3cc(OC)ccc3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
CYP26A1 O43174 1/20 0.55
CYP19A1 P11511 3/20 0.53
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HTR1A P08908 1/20 0.45
CYP24A1 Q07973 1/20 0.42
ACP1 P24666 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
NPY5R Q15761 1/20 0.41

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
SCHEMBL224837 0.85 SIGMAR1 (0.56) ADRA1DADRA1AADRA1BCYP26A1CYP19A1
SCHEMBL228869 0.82 CYP19A1 (0.50) ADRA1DADRA1AADRA1BCYP26A1CYP19A1
SCHEMBL228236 0.77 BACE1 (0.48) CYP26A1CYP19A1SIGMAR1HTR1A
SCHEMBL224240 0.77 CYP26A1 (0.66) ADRA1DADRA1AADRA1BCYP26A1CYP19A1
SCHEMBL229309 0.77 ESR1 (0.52) ADRA1DADRA1AADRA1BCYP26A1CYP19A1
SCHEMBL224187 0.74 KDM1A (0.49) ADRA1DADRA1AADRA1BPOLBKMT2A
SCHEMBL7034334 0.72 ADRA1D (1.00) ADRA1DADRA1AADRA1BCYP26A1POLB
SCHEMBL226670 0.72 KDM1A (0.49) ADRA1DADRA1AADRA1BPOLBKMT2A
SCHEMBL229280 0.71 ESR1 (0.58) ADRA1DADRA1AADRA1BCYP26A1CYP19A1
SCHEMBL13093576 0.71 CYP26A1 (0.60) CYP26A1CYP19A1KMT2ASIGMAR1HTR1A

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 ADRA1D 506/4885ADRA1A 397/4885ADRA1B 743/4885
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 ADRA1D 1419/4885ADRA1A 1392/4885ADRA1B 2167/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ADRA1D 474/4885ADRA1A 409/4885ADRA1B 653/4885

“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.