SCHEMBL256096

SCHEMBL256096

CCOC(=O)c1[nH]c(=O)[nH]c1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.42
ABL1 P00519 2/20 0.42
RIN1 Q13671 2/20 0.42

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
SCHEMBL10925750 0.83 MAPT (0.51) MAPTHSD17B10POLBCYP1A2CYP2C9
Bromide SCHEMBL10926306 0.82 MAPT (0.50) MAPTHSD17B10POLBCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10926845 0.82 MAPT (0.50) MAPTHSD17B10POLBCYP1A2CYP2C9
SCHEMBL10632401 0.81 PDE3B (0.63) MAPTHSD17B10POLBCYP1A2ALDH1A1
SCHEMBL3017686 0.81 CYP1A2 (0.58) MAPTHSD17B10CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10924459 0.80 MAPT (0.49) MAPTHSD17B10POLBCYP1A2CYP2C9
Water SCHEMBL10922371 0.80 MAPT (0.49) MAPTHSD17B10POLBCYP1A2CYP2C9
SCHEMBL10924480 0.79 MAPT (0.48) MAPTHSD17B10POLBCYP1A2CYP2C9
SCHEMBL7342972 0.79 PDE3B (0.45) MAPTHSD17B10POLBPDE3BPDE3A
SCHEMBL10635773 0.78 MAPT (0.50) MAPTHSD17B10POLBALDH1A1KDM4E

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-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-0078545-B1 IMIDAZOLECARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-02-03 EP disclosed
US-4418071-A Cardiotonic imidazolecarboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-11-29 US disclosed
EP-0078545-A1 Imidazolecarboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-11 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 (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-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD MAPT 3143/4885HSD17B10 1447/4885POLB 1513/4885

“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.