SCHEMBL229405

SCHEMBL229405

COc1ccc2c(c1)CCC(c1ccc(F)cc1[N+](=O)[O-])=C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
PTGS2 P35354 1/20 0.46
CYP19A1 P11511 1/20 0.44
MAPK14 Q16539 6/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BCL2 P10415 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL226071 0.92 CYP11B1 (0.53) CYP11B1CYP11B2PTGS2CYP19A1RAB9A
SCHEMBL6422074 0.91 CYP11B1 (0.48) CYP11B1CYP11B2PTGS2CYP19A1MAPK14
SCHEMBL228861 0.87 CYP26A1 (0.47) CYP11B1CYP11B2PTGS2CYP19A1MAPK14
SCHEMBL225762 0.85 CYP11B1 (0.51) CYP11B1CYP11B2PTGS2CYP19A1RAB9A
SCHEMBL227473 0.85 PTGS2 (0.46) CYP11B1CYP11B2PTGS2CYP19A1ALDH1A1
SCHEMBL225770 0.82 CYP11B2 (0.48) CYP11B1CYP11B2PTGS2CYP19A1RAB9A
SCHEMBL227550 0.80 MAOB (0.43) CYP11B1CYP11B2PTGS2CYP19A1RAB9A
SCHEMBL31187239 0.80 MAOB (0.43) CYP11B1CYP11B2PTGS2CYP19A1RAB9A
SCHEMBL6423097 0.78 PTGS2 (0.44) CYP11B1CYP11B2PTGS2CYP19A1RAB9A
SCHEMBL15876168 0.75 PTGS2 (0.47) CYP11B1CYP11B2PTGS2CYP19A1RAB9A

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 363/4885PTGS2 2136/4885
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 1251/4885PTGS2 3624/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B1 214/4885CYP11B2 378/4885PTGS2 2249/4885

“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.