SCHEMBL2232097

SCHEMBL2232097

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
MAPK1 P28482 4/20 0.38
LMNA P02545 4/20 0.38
GMNN O75496 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
HSP90AA1 P07900 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3043003 0.88 LMNA (0.41) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL2354265 0.83 GPR84 (0.42) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL14269783 0.82 ALDH1A1 (0.44) LMNATSHR
SCHEMBL18348559 0.82 LMNA (0.37) CYP1A2MAPK1LMNAGMNNMAPT
Ether SCHEMBL6495162 0.80 LMNA (0.36) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL15472454 0.78 LMNA (0.47) CYP1A2MAPK1LMNAMAPTTSHR
SCHEMBL15472456 0.78 LMNA (0.47) CYP1A2MAPK1LMNAMAPTTSHR
SCHEMBL4458105 0.78 LMNA (0.33) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL25099744 0.77 LMNA (0.59) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL13210313 0.77 LMNA (0.59) CYP1A2MAPK1LMNAGMNNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
US-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders STRACHER ALFRED 2008-02-14 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-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders CPT1B, CAPNS1, CAPN1 CYP1A2 4395/4885MAPK1 3779/4885LMNA 153/4885

“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.