SCHEMBL803570

SCHEMBL803570

CCCOC(=O)C(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL803788 1.00 GRM1 (0.38) GRM1HCAR2ALDH1A1LMNAESR1
SCHEMBL803887 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL803629 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL13537876 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL803562 0.85 NAAA (0.48) HCAR2ALDH1A1LMNATSHRCA1
SCHEMBL803630 0.85 NAAA (0.48) HCAR2ALDH1A1LMNATSHRCA1
SCHEMBL13998853 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL26246342 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL28330708 0.83 HCAR2 (0.35) GRM1HCAR2ALDH1A1LMNAESR1
SCHEMBL14108248 0.82 TSHR (0.37) ALDH1A1TSHR

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 4 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
US-7402690-B2 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-07-22 US disclosed
US-20070123670-A1 Chain transfer agents for raft polymerization in aqueous media MCCORMICK CHARLES L 2007-05-31 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 GRM1 3148/4885HCAR2 12/4885ALDH1A1 834/4885

“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.