SCHEMBL3739280

SCHEMBL3739280

CC1(Cc2ccccc2)CC(=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KLK7 P49862 2/20 0.38
STS P08842 1/20 0.38
BUB1 O43683 1/20 0.38
KLK5 Q9Y337 1/20 0.38
KDM1A O60341 1/20 0.37
RORC P51449 2/20 0.37
AMPD2 Q01433 1/20 0.37
TACR1 P25103 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
BACE1 P56817 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3736062 0.78 BUB1 (0.36) HDAC1HDAC6BUB1KDM1A
SCHEMBL12203692 0.75 OPRD1 (0.53) KEAP1NFE2L2STSTACR1OPRD1
SCHEMBL19693711 0.75 CYP2D6 (0.50)
SCHEMBL3734226 0.73 BUB1 (0.43) HDAC1HDAC6BUB1KDM1ARORC
SCHEMBL24700300 0.73 NPC1 (0.43) HDAC1HDAC6
SCHEMBL9937601 0.72 STS (0.46) KEAP1NFE2L2STSRORCTACR1
SCHEMBL26986851 0.71 STS (0.46) KEAP1NFE2L2STSRORCTACR1
SCHEMBL28941207 0.71 STS (0.40) KEAP1NFE2L2STSOPRD1OPRK1
SCHEMBL20714373 0.71 PDE4A (0.50) HDAC1HDAC6PDE4APDE4BPDE4C
SCHEMBL7434514 0.70 GAA (0.47) AMPD2BACE1

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 4 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
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 HDAC1 693/4885HDAC6 2669/4885PDE4A 4686/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 HDAC1 693/4885HDAC6 2669/4885PDE4A 4686/4885

“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.