Sugi Predict

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SCHEMBL224744

SCHEMBL224744

CCN(CC)CCOc1ccc(CC(C)Nc2cc(O)ccc2C2CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.46
▸ ESR2 Q92731 8/20 0.46
▸ ACACB O00763 1/20 0.42
▸ MIF P14174 1/20 0.40
▸ CHRM2 P08172 1/20 0.37
▸ KDR P35968 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MAOB P27338 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
SCHEMBL228255 0.95 ESR1 (0.51) ESR1ESR2ACACBMIFCHRM2
SCHEMBL228630 0.94 ESR1 (0.43) ESR1ESR2ACACBMIFCHRM2
SCHEMBL226152 0.92 ESR1 (0.51) ESR1ESR2ACACBMIFCHRM2
SCHEMBL228520 0.91 ESR1 (0.45) ESR1ESR2ACACBMIFCHRM2
SCHEMBL229548 0.89 ESR1 (0.43) ESR1ESR2ACACBCHRM2CYP26A1
SCHEMBL229778 0.89 ESR1 (0.48) ESR1ESR2ACACBCYP26A1
SCHEMBL229059 0.87 ESR1 (0.49) ESR1ESR2CYP2C19CYP26A1
SCHEMBL227672 0.87 ESR1 (0.56) ESR1ESR2CYP26A1
SCHEMBL228189 0.86 ESR1 (0.49) ESR1ESR2ACACBMIFCHRM2
SCHEMBL228281 0.86 ESR1 (0.47) ESR1ESR2ACACBMIFKDR

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 7 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

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 3/4885ACACB 3937/4885
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 21/4885ACACB 4060/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ACACB 3664/4885

“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.