SCHEMBL5554876

SCHEMBL5554876

CP(=O)(O)CCC(=O)O.[AlH3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
THPO P40225 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
LMNA P02545 5/20 0.41
BLM P54132 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM4 Q14833 1/20 0.41
GGH Q92820 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL16104630 0.97
SCHEMBL63051 0.97
Hydrochloric Acid SCHEMBL11709036 0.95 LMNA (0.46) TSHRGABBR2CYP1A2THPOGABBR1
SCHEMBL28186481 0.95 TSHR (0.42) TSHRGABBR2CYP1A2THPOGABBR1
SCHEMBL28187226 0.95 TSHR (0.42) TSHRGABBR2CYP1A2THPOGABBR1
SCHEMBL4255208 0.82 TSHR (0.52) TSHRGABBR2CYP1A2THPOGABBR1
SCHEMBL5135161 0.81 CYP1A2 (0.44) TSHRGABBR2CYP1A2THPOGABBR1
SCHEMBL8844627 0.78 FFAR3 (0.50) TSHRLMNAGRM8GRM6GRM7
SCHEMBL9736745 0.78
SCHEMBL2399493 0.77 OR51E2 (0.42) TSHRGABBR2CYP1A2THPOGABBR1

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
CN-107452447-A Extrude flexible flat cable 矢崎总业株式会社 2017-12-08 CN disclosed
US-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 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-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation DBH, HBB, ALKBH3 TSHR 656/4885GABBR2 325/4885CYP1A2 1862/4885

“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.