SCHEMBL228802

SCHEMBL228802

COc1cc(NC(C)Cc2ccc(OCCN3CCC3)c(F)c2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.38
LTA4H P09960 2/20 0.37
KDR P35968 3/20 0.36
ESR2 Q92731 5/20 0.35
CA9 Q16790 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
MCHR1 Q99705 2/20 0.34
HTR2C P28335 1/20 0.34
RET P07949 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL226284 0.98 ESR1 (0.41) ESR1LTA4HKDRESR2HTR2C
SCHEMBL225617 0.98 ESR1 (0.41) ESR1LTA4HKDRESR2HTR2C
SCHEMBL229566 0.93 ESR1 (0.35) ESR1LTA4HKDRESR2MCHR1
SCHEMBL228252 0.92 ESR1 (0.42) ESR1LTA4HKDRESR2DRD2
SCHEMBL229636 0.91 ESR1 (0.36) ESR1ESR2CA9DRD2DRD1
SCHEMBL227580 0.91 LTA4H (0.40) ESR1LTA4HKDRESR2DRD2
SCHEMBL228574 0.90 ESR1 (0.42) ESR1ESR2DRD2HTR2C
SCHEMBL225004 0.90 ESR1 (0.41) ESR1LTA4HKDRESR2DRD2
SCHEMBL227717 0.90 ESR1 (0.41) ESR1LTA4HKDRESR2DRD2
SCHEMBL227285 0.88 ESR1 (0.38) ESR1KDRESR2CA9DRD2

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 1/4885LTA4H 3180/4885KDR 942/4885
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 34/4885LTA4H 3104/4885KDR 3272/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885LTA4H 2984/4885KDR 884/4885

“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.