SCHEMBL803550

SCHEMBL803550

COC(=O)C(c1ccc(C)c(OC)c1)[n+]1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
GRM4 Q14833 1/20 0.37
ACHE P22303 3/20 0.36
BCHE P06276 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL805572 0.89 ACHE (0.47) ACHEALDH1A1CYP2C19
SCHEMBL16865531 0.75 MT-CO2 (0.55) TAS1R3TAS1R1KMT2AMEN1AKR1C3
SCHEMBL803625 0.74 TAS1R3 (0.46) TAS1R3TAS1R1KMT2AMEN1BLM
SCHEMBL803824 0.74 EDNRA (0.54) TAS1R3TAS1R1KMT2A
SCHEMBL16865514 0.73 TAS1R3 (0.48) TAS1R3TAS1R1KMT2AMEN1AKR1C3
SCHEMBL19986355 0.73 TAS1R3 (0.45) TAS1R3TAS1R1KMT2AMEN1BLM
SCHEMBL16865533 0.70 AKR1C3 (0.62) AKR1C3AKR1C2BLMNPSR1TSHR
SCHEMBL16865529 0.70 AKR1C3 (0.62) AKR1C3AKR1C2BLMNPSR1TSHR
SCHEMBL3677141 0.70 AKR1C3 (0.62) AKR1C3AKR1C2BLMNPSR1TSHR
SCHEMBL804060 0.70 BLM (0.71) AKR1C3AKR1C2BLMNPSR1TSHR

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-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 TAS1R3 3512/4885TAS1R1 3477/4885KMT2A 3968/4885

“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.