SCHEMBL4081963

SCHEMBL4081963

CCOC(=O)c1cccc(CCC=O)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.68
CYP4A11 Q02928 3/20 0.68
MEP1B Q16820 1/20 0.52
MAPT P10636 2/20 0.51
CA2 P00918 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL11375185 0.92 CYP4F2 (0.72) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL31477851 0.89 CYP4F2 (0.69) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL3642367 0.87 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL9623658 0.85 CYP4F2 (0.69) CYP4F2CYP4A11MAPTHPGDSMN1; SMN2
SCHEMBL17513472 0.85 CYP4F2 (0.67) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL12035616 0.84 CYP4F2 (0.75) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL9454406 0.83 CYP4F2 (0.73) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL12523791 0.83 CYP4F2 (0.83) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL5539853 0.83 CYP4F2 (0.64) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL129801 0.82 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BMAPTCA2

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
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-20120149660-A1 NOVEL N-SUBSTITUTED 5-HYDROXYPYROLLINDES AS INHIBITORS OF MDM2-P53 INTERACTIONS LIU JIN-JUN (US) 2012-06-14 US disclosed
WO-2012076513-A1 3-CYANO-1-HYDROXYMETHYL-2-PHENYLPYRROLIDINE DERIVATIVES AS INHIBITORS OF MDM2-P53 INTERACTIONS USEFUL FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
WO-2003064428-A1 FURANO- AND THIENOPYRIMIDINES AS NEUROKINASE INHIBITORS H. LUNDBECK A/S (DK) 2003-08-07 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 (2 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 CYP4F2 781/4885CYP4A11 56/4885MEP1B 2831/4885
US-20120149660-A1 NOVEL N-SUBSTITUTED 5-HYDROXYPYROLLINDES AS INHIBITORS OF MDM2-P53 INTERACTIONS TP53, MDM2, TP53BP1 CYP4F2 1977/4885CYP4A11 734/4885MEP1B 1310/4885

“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.