SCHEMBL4500952

SCHEMBL4500952

CC(C)(N)Cc1c(C(C2=C(O)C(c3ccccc3)CC2=O)c2ccccc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
MDM4 O15151 2/20 0.34
MDM2 Q00987 2/20 0.34
AXL P30530 1/20 0.32
PTK2B Q14289 1/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
CYP19A1 P11511 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4501189 0.73 MAPT (0.43) PIM1CYP19A1
SCHEMBL1378443 0.73 MTNR1A (0.47) CYP19A1
SCHEMBL4506993 0.72 MTNR1A (0.55) MDM2CYP19A1
SCHEMBL1379412 0.71 MTNR1A (0.59) CYP19A1
SCHEMBL1376806 0.67 MTNR1A (0.47)
SCHEMBL4507171 0.66 MDM2 (0.34) MDM2
SCHEMBL4485409 0.62 MTNR1A (0.49)
SCHEMBL4493012 0.60 KIF11 (0.34) CYP19A1
SCHEMBL7674106 0.59 CYP19A1 (0.48) CYP19A1
SCHEMBL3676809 0.55 KDM4E (0.55) PIM1CLK4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 PIM1 2057/4885CLK4 3881/4885MDM4 4201/4885

“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.