SCHEMBL21060985

SCHEMBL21060985

CCCCCCCCCCCCC(=O)c1c[nH]c(C(=O)OCC)c1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 4/20 0.47
GRM1 Q13255 2/20 0.46
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
NR4A1 P22736 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
SCHEMBL21060964 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL21061089 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL21060953 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL21060902 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL21060963 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL23645980 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL21060979 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL21061029 0.86 LMNA (0.52) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL9147971 0.84 PLA2G2A (0.44) LMNAMAPK1SMN1; SMN2NPSR1HTT
SCHEMBL1752519 0.80 GRM1 (0.59) ALDH1A1GRM1CYP1A2CYP2C9CYP2C19

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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN disclosed
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 EP disclosed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 WO 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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA LMNA 4141/4885MAPK1 2388/4885SMN1; SMN2 4313/4885

“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.