SCHEMBL552335

SCHEMBL552335

COC(=O)c1ccc2c(c1)OCC(=Cc1ccc(F)cc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.56
MIF P14174 3/20 0.55
MAPT P10636 5/20 0.52
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
CXCL12 P48061 1/20 0.49
MAOA P21397 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL552334 1.00 MAOB (0.56) MAOBMIFMAPTCYP3A4ALDH1A1
SCHEMBL8784896 0.89 MIF (0.65) MAOBMIFMAPTCYP3A4ALDH1A1
SCHEMBL8348069 0.81 MAOB (0.70) MAOBMIFMAPTALDH1A1MEN1
SCHEMBL1064903 0.81 MAOB (0.70) MAOBMIFMAPTALDH1A1MEN1
SCHEMBL1064902 0.81 MAOB (0.70) MAOBMIFMAPTALDH1A1MEN1
SCHEMBL551779 0.79 MAOB (0.44) MAOBMIFMAPTCYP3A4ALDH1A1
SCHEMBL551327 0.79 MAPK14 (0.46) MAOBMIFMAPTCYP3A4ALDH1A1
SCHEMBL551326 0.79 MAPK14 (0.46) MAOBMIFMAPTCYP3A4ALDH1A1
SCHEMBL551780 0.79 MAOB (0.44) MAOBMIFMAPTCYP3A4ALDH1A1
SCHEMBL13077900 0.78 MIF (0.61) MAOBMIFMAPTCYP3A4ALDH1A1

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 MAOB 134/4885MIF 4600/4885MAPT 3184/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 MAOB 134/4885MIF 4600/4885MAPT 3184/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB MAOB 178/4885MIF 3183/4885MAPT 4195/4885

“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.