SCHEMBL551813

SCHEMBL551813

O=C1/C(=C/c2ccc(F)cc2)CCc2cc(O)ccc21

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 15/20 0.84
CYP26A1 O43174 4/20 0.84
MAOB P27338 3/20 0.78
MAOA P21397 2/20 0.78
CYP19A1 P11511 1/20 0.71

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
SCHEMBL551815 1.00 MIF (0.84) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL551814 1.00 MIF (0.84) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL5725630 0.91 MIF (1.00) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL5726552 0.87 MIF (0.86) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL5724962 0.86 MIF (0.84) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL5724535 0.86 MIF (1.00) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL22105155 0.86 MIF (0.66) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL20809674 0.84 MIF (0.80) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL5726517 0.83 MIF (0.79) MIFCYP26A1MAOBMAOACYP19A1
SCHEMBL5724942 0.83 MIF (1.00) MIFCYP26A1MAOBMAOACYP19A1

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-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
EP-2089367-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2009-08-19 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 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 (3 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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 MIF 4600/4885CYP26A1 1405/4885MAOB 134/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 MIF 4600/4885CYP26A1 1405/4885MAOB 134/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB MIF 3183/4885CYP26A1 149/4885MAOB 178/4885

“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.