SCHEMBL16638510

SCHEMBL16638510

CCOC(=O)c1[nH]c(=O)[nH]c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 4/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3017686 0.78 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL256096 0.75 MAPT (0.56) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL16961721 0.75 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL9943788 0.72 JAK2 (0.55) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL15330350 0.72 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL26988884 0.72 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL2932942 0.71 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL10925750 0.70 MAPT (0.51) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL11648197 0.69 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19LMNAHPGD
Hydrochloric Acid SCHEMBL10926845 0.69 MAPT (0.50) CYP1A2CYP2C9CYP2C19HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD CYP1A2 862/4885CYP2C9 963/4885CYP2C19 392/4885

“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.