SCHEMBL21060980

SCHEMBL21060980

CCCCCCCCCCCCCc1cc(F)c(C(=O)OCC)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR84 Q9NQS5 11/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
ALOX15 P16050 3/20 0.42
GHSR Q92847 1/20 0.41
HCAR3 P49019 1/20 0.40

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
SCHEMBL21060961 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060920 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060903 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060913 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060885 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060973 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060970 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060923 1.00 LMNA (0.45) LMNAMAPK1SMN1; SMN2NPSR1GPR84
SCHEMBL21060948 0.90 HTR6 (0.40) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL21060935 0.82 HCAR2 (0.54) GPR84HCAR2GHSRHCAR3

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.