SCHEMBL3246447

SCHEMBL3246447

CCOC(=O)CCC(C)=Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 2/20 0.60
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TRPA1 O75762 5/20 0.43
ABCB11 O95342 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 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
SCHEMBL3246446 1.00 MAPT (0.60) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL2240835 0.87 SMN1; SMN2 (0.45) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL2245263 0.84 MEN1 (0.60) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL2245266 0.84 MEN1 (0.60) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL27839746 0.82 CYP4F2 (0.45) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL3363852 0.78 MAPT (0.38) MAPTKMT2ALMNAPOLBKDM4E
SCHEMBL25904900 0.78 TRPA1 (0.60) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL3601404 0.78 MAPT (0.73) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL3601409 0.78 MAPT (0.73) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL4686898 0.76 LMNA (0.61) MAPTMEN1KMT2ACYP1A2LMNA

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
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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 (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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 MAPT 4450/4885MEN1 627/4885KMT2A 2087/4885

“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.