SCHEMBL552484

SCHEMBL552484

COC(=O)c1ccc2c(c1)CC/C(=C/C1CCOC1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MIF P14174 8/20 0.37
CYP26A1 O43174 1/20 0.37
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PKM P14618 1/20 0.36
SRD5A1 P18405 1/20 0.35

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
SCHEMBL8212805 1.00 MAPK14 (0.39) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL552486 1.00 MAPK14 (0.39) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL552485 1.00 MAPK14 (0.39) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL8203221 0.94 MAPK14 (0.40) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL552126 0.94 MAPK14 (0.40) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL552125 0.94 MAPK14 (0.40) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL550954 0.85 SMN1; SMN2 (0.46) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL552389 0.85 ALDH1A1 (0.44) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL552388 0.85 ALDH1A1 (0.44) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL8211175 0.85 ALDH1A1 (0.44) MAPK14ALDH1A1SMN1; SMN2ATMNPSR1

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 MAPK14 3328/4885ALDH1A1 1197/4885SMN1; SMN2 3075/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 MAPK14 3328/4885ALDH1A1 1197/4885SMN1; SMN2 3075/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB MAPK14 2891/4885ALDH1A1 279/4885SMN1; SMN2 3000/4885

“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.