SCHEMBL3733164

SCHEMBL3733164

O=C1CCC(c2cccc(O)c2)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
DHFR P00374 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
KIF11 P52732 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL24282883 0.80 MDM2 (0.61) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL18341407 0.80 DDB1 (0.44) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL432587 0.80 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL22201156 0.80 DDB1 (0.44) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10400359 0.80 CRBN (0.59) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3497573 0.79 ESR2 (0.56) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL16796843 0.78 DDB1 (0.52) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3584879 0.78 DDB1 (0.52) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8177567 0.78 DDB1 (0.52) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3600762 0.76 HTR2C (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-25 US disclosed
CN-101415676-A N-tert-butoxycarbonyl-2-pyrrolidinone compounds and method for producing the same SUMITOMO CHEMICAL CO (JP) 2009-04-22 CN disclosed
EP-2008999-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-12-31 EP 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-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 PDE4A 4686/4885PDE4B 4683/4885PDE4C 4741/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 PDE4A 4686/4885PDE4B 4683/4885PDE4C 4741/4885

“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.