SCHEMBL226229

SCHEMBL226229

COc1ccc2c(c1)CCC(c1nc(OC)ccc1[N+](=O)[O-])=C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
CYP19A1 P11511 1/20 0.46
PTGS2 P35354 1/20 0.46
TXNRD1 Q16881 13/20 0.44
S1PR4 O95977 2/20 0.42
MAPT P10636 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 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
SCHEMBL226071 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL225762 0.77 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL6422074 0.76 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL229405 0.74 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL227350 0.74 CYP11B2 (0.48) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL228861 0.72 CYP26A1 (0.47) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL15876168 0.72 PTGS2 (0.47) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL227473 0.72 PTGS2 (0.46) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL6423017 0.71 MAOB (0.43) CYP11B1CYP11B2CYP19A1PTGS2MAPT
SCHEMBL6423097 0.70 PTGS2 (0.44) CYP11B1CYP11B2CYP19A1PTGS2MAPT

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 CYP11B1 195/4885CYP11B2 363/4885CYP19A1 22/4885
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 CYP11B1 958/4885CYP11B2 1251/4885CYP19A1 146/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B1 214/4885CYP11B2 378/4885CYP19A1 20/4885

“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.