SCHEMBL803625

SCHEMBL803625

COC(=O)C(Cl)c1ccc(C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
GRM4 Q14833 1/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL187559 0.87 CYP2C19 (0.52) ACHEKMT2AALDH1A1CYP2C19NPSR1
SCHEMBL803545 0.83 SMN1; SMN2 (0.43) TAS1R3TAS1R1BCHEACHEMEN1
SCHEMBL16865531 0.82 MT-CO2 (0.55) TAS1R3TAS1R1BCHEACHEMEN1
SCHEMBL19986355 0.79 TAS1R3 (0.45) TAS1R3TAS1R1GRM4BCHEACHE
SCHEMBL16865514 0.79 TAS1R3 (0.48) TAS1R3TAS1R1BCHEACHEMEN1
SCHEMBL5700815 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CYP2C19LMNA
SCHEMBL5485178 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP2C19TSHR
SCHEMBL4779827 0.75 L3MBTL1 (0.49) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL5487986 0.75 SLC6A3 (0.57) ALDH1A1TSHRLMNA
SCHEMBL11458699 0.74 CYP1A2 (0.42) TSHRLMNA

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 3477/4885GRM4 4183/4885

“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.