SCHEMBL6142591

SCHEMBL6142591

CC(C)(C)C(=O)Oc1ccc(C2COc3cc(OC(=O)C(C)(C)C)cc(O)c3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.49
ALOX15 P16050 1/20 0.49
PTPN1 P18031 1/20 0.45
CYP19A1 P11511 3/20 0.42
ELANE P08246 3/20 0.41
KCNH2 Q12809 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CBS P35520 1/20 0.39

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
SCHEMBL6142655 0.95 ALOX12 (0.57) ALOX12ALOX15PTPN1CYP19A1KCNH2
SCHEMBL6142614 0.92 CYP19A1 (0.49) ALOX12ALOX15PTPN1CYP19A1
SCHEMBL6143062 0.79 CYP19A1 (0.63) ALOX12ALOX15CYP19A1KCNH2TRPV1
Dihydrobiochanin A SCHEMBL30217535 0.78 ALOX12 (0.67) ALOX12ALOX15PTPN1CYP19A1KCNH2
SCHEMBL6142887 0.77 CYP19A1 (0.68) ALOX12ALOX15CYP19A1KCNH2TRPV1
SCHEMBL12825176 0.77 ALOX12 (0.65) ALOX12ALOX15PTPN1CYP19A1MEN1
SCHEMBL678189 0.77 ALOX12 (0.65) ALOX12ALOX15PTPN1CYP19A1MEN1
SCHEMBL29412620 0.77 ALOX12 (0.65) ALOX12ALOX15PTPN1CYP19A1MEN1
SCHEMBL15070036 0.76 ALOX12 (0.60) ALOX12ALOX15PTPN1CYP19A1KCNH2
SCHEMBL3956230 0.76 ALOX12 (0.46) ALOX12ALOX15PTPN1CYP19A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951883-B2 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2005-10-04 US disclosed
EP-1229036-B1 2H-1-benzopyran derivatives, processes for their preparation and pharmaceutical compositions thereof CHIESI FARMA SPA (IT) 2005-01-12 EP disclosed
US-20040106595-A1 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2004-06-03 US disclosed
EP-1355906-A1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2003-10-29 EP disclosed
EP-1229036-A1 2H-1-benzopyran derivatives, processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.p.A. (IT) 2002-08-07 EP disclosed
WO-2002059113-A1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2002-08-01 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-20040106595-A1 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CYP19A1, BRCA1, HPD ALOX12 443/4885ALOX15 420/4885PTPN1 3256/4885

“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.