SCHEMBL228801

SCHEMBL228801

COc1cc(NCCCc2ccc(OCCN3CCC3)c(F)c2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.38
ESR2 Q92731 3/20 0.38
LTA4H P09960 2/20 0.37
KDR P35968 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
CA9 Q16790 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
FPR3 P25089 1/20 0.34

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
SCHEMBL228382 0.98 ESR1 (0.39) ESR1ESR2LTA4HKDRSIGMAR1
SCHEMBL226283 0.98 ESR1 (0.39) ESR1ESR2LTA4HKDRSIGMAR1
SCHEMBL225616 0.98 ESR1 (0.39) ESR1ESR2LTA4HKDRSIGMAR1
SCHEMBL229565 0.93 ESR1 (0.36) ESR1ESR2KDRDRD2FPR3
SCHEMBL228251 0.92 ESR1 (0.44) ESR1ESR2LTA4HKDRDRD2
SCHEMBL228749 0.92 ESR1 (0.44) ESR1ESR2LTA4HKDRDRD2
SCHEMBL229198 0.92 ESR1 (0.44) ESR1ESR2LTA4HKDRDRD2
SCHEMBL228584 0.91 ESR1 (0.39) ESR1ESR2SIGMAR1CA9DRD2
SCHEMBL229635 0.91 ESR1 (0.39) ESR1ESR2SIGMAR1CA9DRD2
SCHEMBL228502 0.90 ESR1 (0.43) ESR1ESR2LTA4HKDRDRD2

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 ESR1 1/4885ESR2 3/4885LTA4H 3180/4885
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 ESR1 34/4885ESR2 21/4885LTA4H 3104/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885LTA4H 2984/4885

“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.