SCHEMBL2474973

SCHEMBL2474973

CCC(CC)(OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 7/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.30
FFAR3 O14843 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Acetic Acid SCHEMBL9958361 0.87 GAA (0.34) GAAALDH1A1LMNAHSD17B10
SCHEMBL8420585 0.87 GAA (0.34) GAAALDH1A1LMNAHSD17B10
SCHEMBL28492861 0.80 MEN1 (0.38) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL28183567 0.78 FFAR3 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL6313690 0.78 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL6319563 0.78 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL4610366 0.78 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL284431 0.78 CYP2C19 (0.42) GAAALDH1A1TSHRTDP1
Acetic Acid SCHEMBL15573268 0.76 CYP2C19 (0.41) GAAALDH1A1TSHRFFAR3TDP1
Acetone SCHEMBL9653544 0.76 CYP2C19 (0.41) GAAALDH1A1TSHRTDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735332-B1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-10-19 EP disclosed
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ZHAO CHEN 2008-05-15 US disclosed
US-7345034-B2 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-03-18 US disclosed
EP-1735332-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-03 US disclosed
WO-2005100377-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-10-27 WO disclosed
US-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands ABBVIE INC. 2005-10-13 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 (3 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-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 GAA 3742/4885ALDH1A1 2714/4885LMNA 4497/4885
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 GAA 3742/4885ALDH1A1 2714/4885LMNA 4497/4885
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS HRH4, HRH3, HRH2 GAA 3742/4885ALDH1A1 2714/4885LMNA 4497/4885

“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.