SCHEMBL227350

SCHEMBL227350

COc1ccc2c(c1)CCC(c1c(C)cccc1[N+](=O)[O-])=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.48
CYP11B1 P15538 4/20 0.48
CYP19A1 P11511 2/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CYP26A1 O43174 1/20 0.38
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL225762 0.82 CYP11B1 (0.51) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL15876237 0.82 HSD17B10 (0.46) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL226071 0.80 CYP11B1 (0.53) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL6423097 0.76 PTGS2 (0.44) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL6422074 0.75 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL229405 0.75 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1PTGS2ALDH1A1
SCHEMBL226229 0.74 CYP11B1 (0.50) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL228861 0.73 CYP26A1 (0.47) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL227473 0.73 PTGS2 (0.46) CYP11B2CYP11B1CYP19A1PTGS2MAPK1
SCHEMBL15876168 0.73 PTGS2 (0.47) CYP11B2CYP11B1CYP19A1PTGS2MAPK1

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