SCHEMBL4639684

SCHEMBL4639684

COc1cc2oc(=O)c(-c3ccc(C(F)(F)F)cc3)c(Cc3ccc(OC(=O)C(C)(C)C)cc3)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.49
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.39
VKORC1 Q9BQB6 1/20 0.39
MAOB P27338 1/20 0.38
ESR2 Q92731 1/20 0.38
FPR1 P21462 1/20 0.38

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
SCHEMBL4639615 0.91 ESR1 (0.48) ESR1CYP19A1MEN1KMT2AELANE
SCHEMBL4641624 0.89 ESR1 (0.57) ESR1CYP19A1NPC1VKORC1ESR2
SCHEMBL4640663 0.88 ESR1 (0.59) ESR1CYP19A1MEN1KMT2ANPC1
SCHEMBL5623278 0.81 ESR1 (0.52) ESR1MAOB
SCHEMBL4640145 0.80 ESR1 (0.56) ESR1CYP19A1NPC1VKORC1ESR2
SCHEMBL4640144 0.78 ESR1 (0.64) ESR1CYP19A1MEN1KMT2ANPC1
SCHEMBL4639556 0.78 ESR1 (0.42) ESR1CYP19A1MAOB
SCHEMBL5624832 0.72 ESR1 (0.51) ESR1
SCHEMBL4729453 0.72 ESR1 (0.55) ESR1MAOBESR2
SCHEMBL4639606 0.70 ESR1 (0.41) ESR1CYP19A1MAOB

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-1667999-A4 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2008-08-06 EP disclosed
US-7247646-B2 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-24 US disclosed
US-7247646-B2 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-24 US disclosed
US-7247646-B2 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-24 US disclosed
EP-1667999-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2006-06-14 EP disclosed
US-20050137231-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-06-23 US disclosed
WO-2005028472-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2005-03-31 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-20050137231-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR1, ESR2, ESRRG ESR1 1/4885CYP19A1 17/4885MEN1 2760/4885

“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.