SCHEMBL8737494

SCHEMBL8737494

CCCC(C)OC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC(C)CCC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL1332953 0.85 TAS1R3 (0.42) TAS1R3TAS1R1LMNATDP1MEN1
SCHEMBL8333245 0.82 HPGD (0.49) TAS1R3TAS1R1MAPTNPSR1CYP1A2
SCHEMBL77601 0.78 MAPT (0.53) MAPTGSK3BKDM4EALDH1A1HPGD
SCHEMBL19450577 0.78 TDP1 (0.44) TAS1R3TAS1R1LMNATDP1MEN1
SCHEMBL11776380 0.78 GLO1 (0.42) TAS1R3TAS1R1LMNAMAPTGSK3B
SCHEMBL28126890 0.77 KMT2A (0.53) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL438314 0.76 MEN1 (0.70) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL8328530 0.76 LMNA (0.63) TAS1R3TAS1R1LMNATDP1MEN1
SCHEMBL28841141 0.75 KMT2A (0.51) TAS1R3TAS1R1LMNATDP1MEN1
SCHEMBL8182437 0.75 MEN1 (0.64) LMNAMEN1KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120128745-A1 BENZYLIDENE MALONATES BASF SE (DE) 2012-05-24 US disclosed
US-20120128745-A1 BENZYLIDENE MALONATES BASF SE (DE) 2012-05-24 US disclosed
WO-2010136360-A2 BENZYLIDENE MALONATES BASF SE (DE) 2010-12-02 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-20120128745-A1 BENZYLIDENE MALONATES TERT, REL, MGMT TAS1R3 773/4885TAS1R1 380/4885LMNA 2000/4885

“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.