SCHEMBL5640979

SCHEMBL5640979

O=C(O)C=Cc1ccc(CC2c3ccc(OCc4ccccc4)cc3CCN2c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.49
ESR2 Q92731 2/20 0.49
MAOB P27338 1/20 0.48
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
MMP15 P51511 1/20 0.44
MMP16 P51512 1/20 0.44
MMP26 Q9NRE1 1/20 0.44
GSK3B P49841 1/20 0.44
BACE1 P56817 1/20 0.44
AKR1C3 P42330 1/20 0.43

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
SCHEMBL5640974 1.00 ESR1 (0.49) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5640300 0.94 ESR1 (0.48) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5640295 0.94 ESR1 (0.48) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5640515 0.91 ESR1 (0.54) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5640522 0.91 ESR1 (0.54) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5642546 0.91 ESR1 (0.45) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5642540 0.91 ESR1 (0.45) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5640274 0.89 ESR1 (0.44) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5640267 0.89 ESR1 (0.44) ESR1ESR2MAOBGRIN1GRIN2B
SCHEMBL5109199 0.87 ESR1 (0.63) ESR1ESR2GRIN1GRIN2B

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
US-7279489-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6593322-B1 Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including SIGNAL PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO 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 (1 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-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 ESR1 6/4885ESR2 3/4885MAOB 2787/4885

“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.