SCHEMBL5416865

SCHEMBL5416865

COc1ccc2c(Cc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(C(F)(F)F)cc3Cl)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.53
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 4/20 0.46
BCHE P06276 1/20 0.46
CYP19A1 P11511 1/20 0.46
LTA4H P09960 2/20 0.44
MAOB P27338 2/20 0.44
CCR4 P51679 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5422500 0.92 ESR1 (0.54) ESR1DRD2DRD4DRD3ACHE
SCHEMBL5416855 0.91 ESR1 (0.54) ESR1
SCHEMBL4619222 0.90 ESR1 (0.55) ESR1
SCHEMBL5426736 0.90 ESR1 (0.57) ESR1DRD2DRD4DRD3ACHE
SCHEMBL5422253 0.88 ESR1 (0.64) ESR1DRD2DRD4DRD3ACHE
SCHEMBL5422430 0.88 ESR1 (0.53) ESR1DRD2DRD4DRD3ACHE
SCHEMBL6152455 0.86 CYP19A1 (0.44) ESR1DRD2DRD4DRD3ACHE
SCHEMBL4621568 0.84 ESR1 (0.55) ESR1
SCHEMBL5422463 0.84 CYP19A1 (0.52) ESR1DRD2DRD4DRD3CYP19A1
SCHEMBL5422322 0.82 ESR1 (0.55) ESR1

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
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
EP-1497277-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith NOVARTIS AG (CH) 2004-05-13 US disclosed
WO-2003089422-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-30 WO 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 (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-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 4/4885DRD2 2500/4885DRD4 1477/4885
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR2, ESRRA, ESR1 ESR1 3/4885DRD2 2737/4885DRD4 2064/4885

“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.