SCHEMBL550953

SCHEMBL550953

COC(=O)c1ccc2c(c1)CC/C(=C/C1CCCC1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK14 Q16539 2/20 0.42
MIF P14174 8/20 0.40
PTPRC P08575 1/20 0.40
EGFR P00533 1/20 0.40
CYP26A1 O43174 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
CYP19A1 P11511 1/20 0.38
ABCB1 P08183 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 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
SCHEMBL550954 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL8212709 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL552389 0.98 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL8211175 0.98 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL552388 0.98 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL552126 0.90 MAPK14 (0.40) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL552125 0.90 MAPK14 (0.40) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL8203221 0.90 MAPK14 (0.40) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL552484 0.85 MAPK14 (0.39) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14
SCHEMBL8212805 0.85 MAPK14 (0.39) SMN1; SMN2ALDH1A1ATMNPSR1MAPK14

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 SMN1; SMN2 3075/4885ALDH1A1 1197/4885ATM 1074/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 SMN1; SMN2 3075/4885ALDH1A1 1197/4885ATM 1074/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB SMN1; SMN2 3000/4885ALDH1A1 279/4885ATM 4062/4885

“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.