SCHEMBL21060869

SCHEMBL21060869

CCCCCCCCCCCCCc1c[nH]c(C(=O)OCCOCCOCCOCCO)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ABCB11 O95342 1/20 0.36

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
SCHEMBL21061134 0.97 LMNA (0.39) LMNAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL23645995 0.94 LMNA (0.39) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061076 0.92 LMNA (0.38) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061096 0.92 LMNA (0.38) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061142 0.90 LMNA (0.41) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061139 0.89 ESR1 (0.42) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061178 0.89 ESR1 (0.42) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061185 0.89 ESR1 (0.42) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061036 0.89 ESR1 (0.42) LMNACYP3A4ALDH1A1MAPK1MAPT
SCHEMBL21061018 0.89 ESR1 (0.42) LMNACYP3A4ALDH1A1MAPK1MAPT

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 claimed
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US 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 4141/4885MEN1 4611/4885KMT2A 3769/4885

“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.