SCHEMBL503003

SCHEMBL503003

O=c1oc2cc(O)ccc2c(Cc2ccc(OCCN3CCCC3)cc2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.58
ESR2 Q92731 3/20 0.51
XDH P47989 2/20 0.49
F2 P00734 1/20 0.48

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
SCHEMBL14428679 0.99 ESR1 (0.58) ESR1ESR2XDH
SCHEMBL14428684 0.91 ESR1 (0.57) ESR1ESR2XDH
SCHEMBL5426736 0.90 ESR1 (0.57) ESR1
SCHEMBL5416855 0.90 ESR1 (0.54) ESR1ESR2XDH
SCHEMBL5417604 0.90 ESR1 (0.54) ESR1ESR2XDHF2
SCHEMBL4621596 0.89 ESR1 (0.55) ESR1ESR2XDH
SCHEMBL4619222 0.89 ESR1 (0.55) ESR1ESR2XDH
SCHEMBL6810576 0.89 ESR1 (0.68) ESR1ESR2F2
Hydrochloric Acid SCHEMBL5417631 0.88 ESR1 (0.67) ESR1ESR2F2
SCHEMBL4641975 0.88 ESR1 (0.68) ESR1ESR2F2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040882-A1 USE OF FIBROBLAST GROWTH FACTOR FRAGMENTS NOVARTIS AG (CH) 2013-02-14 US disclosed
US-20120028896-A1 USE OF FIBROBLAST GROWTH FACTOR FRAGMENTS NOVARTIS AG 2012-02-02 US disclosed
EP-1682665-B1 USE OF FIBROBLAST GROWTH FACTOR FRAGMENTS NOVARTIS AG (CH) 2011-04-27 EP disclosed
US-20090093398-A1 Use of Fibroblast Growth Factor Fragments BOLLEKENS JACQUES 2009-04-09 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith NOVARTIS AG (CH) 2004-05-13 US disclosed
US-6620838-B1 Anticarcinogenic, antimestasis, and antiarthritic agents; osteoporosis and endometriosis treatment SIGNAL PHARMACEUTICALS, INC. 2003-09-16 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 (5 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-20090093398-A1 Use of Fibroblast Growth Factor Fragments FGF2, FGF23, FGF1 ESR1 3960/4885ESR2 3255/4885XDH 3837/4885
US-20120028896-A1 USE OF FIBROBLAST GROWTH FACTOR FRAGMENTS FGF2, FGF23, FGF1 ESR1 3893/4885ESR2 3218/4885XDH 3898/4885
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith ESR2, CYP19A1, ESRRA ESR1 4/4885ESR2 1/4885XDH 1577/4885
US-20130040882-A1 USE OF FIBROBLAST GROWTH FACTOR FRAGMENTS FGF2, FGF23, FGF1 ESR1 3960/4885ESR2 3255/4885XDH 3837/4885
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR2, ESRRA, ESR1 ESR1 3/4885ESR2 1/4885XDH 1138/4885

“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.