SCHEMBL803630

SCHEMBL803630

CCCCCOC(=O)[C@@H](C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL803562 1.00 NAAA (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL26246342 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL13998853 0.98 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL803887 0.94 ALDH1A1 (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL13537876 0.94 ALDH1A1 (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL803629 0.94 ALDH1A1 (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL803788 0.85 GRM1 (0.38) TSHRALDH1A1HCAR2CA1CA2
SCHEMBL803570 0.85 GRM1 (0.38) TSHRALDH1A1HCAR2CA1CA2
SCHEMBL27791483 0.83 NAAA (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL8889848 0.82 NAAA (0.47) NAAAEPHX1TSHRALDH1A1HCAR2

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 NAAA 2049/4885EPHX1 1074/4885TSHR 4680/4885

“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.