Sugi Predict

Sugi Predict / Compounds / SCHEMBL228913

SCHEMBL228913

SCHEMBL228913

CCN(Cc1ccc(CCNCCCOC)cc1)c1ccccc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.67
▸ ESR2 Q92731 1/20 0.67
▸ GRIN2B Q13224 2/20 0.39
▸ ESRRG P62508 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ SMPD1 P17405 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ SLC6A5 Q9Y345 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL228745 0.92 ESR1 (0.61) ESR1ESR2GRIN2BDRD2DRD3
SCHEMBL229484 0.90 ESR1 (0.84) ESR1ESR2GRIN2BADRA1DADRA1A
SCHEMBL226544 0.89 ESR1 (0.68) ESR1ESR2GRIN2BESRRGADRA1D
SCHEMBL228912 0.86 ESR1 (0.59) ESR1ESR2GRIN2BDRD2DRD3
SCHEMBL227456 0.85 ESR1 (0.86) ESR1ESR2GRIN2BADRA1DADRA1A
SCHEMBL227455 0.85 ESR1 (0.86) ESR1ESR2GRIN2BADRA1DADRA1A
SCHEMBL227678 0.83 ESR1 (0.74) ESR1ESR2DRD2DRD3CYP1A2
SCHEMBL228195 0.83 ESR1 (0.86) ESR1ESR2GRIN2BADRA1DADRA1A
SCHEMBL15888933 0.83 ESR1 (0.60) ESR1ESR2GRIN2BESRRGDRD2
SCHEMBL228274 0.82 ESR1 (0.72) ESR1ESR2DRD2DRD3ALDH1A1

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 5 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-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 (2 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-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 21/4885GRIN2B 3266/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GRIN2B 1434/4885

“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.