SCHEMBL21060901

SCHEMBL21060901

CCCCCCCCCCC(C)(C)C(=O)c1cc(Cl)c(C(=O)OC)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ACAT1 P24752 1/20 0.41
SOAT1 P35610 1/20 0.41
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.37
MAPK14 Q16539 2/20 0.34
GALK1 P51570 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ELANE P08246 1/20 0.34
RAF1 P04049 1/20 0.33

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
SCHEMBL21060908 0.80 ALOX15 (0.44) ALOX15MAPTALDH1A1
SCHEMBL21061011 0.80 ALOX15 (0.44) ALOX15MAPTALDH1A1
SCHEMBL21060890 0.80 ALOX15 (0.44) ALOX15MAPTALDH1A1
SCHEMBL21061105 0.78 CNR2 (0.39) ALOX15KDM4EMAPTTP53CYP3A4
SCHEMBL21061091 0.77 GPR84 (0.47) MAPTGALK1GPR84
SCHEMBL21060896 0.77 GPR84 (0.47) MAPTGALK1GPR84
SCHEMBL21061162 0.77 GPR84 (0.47) MAPTGALK1GPR84
SCHEMBL21061015 0.77 GPR84 (0.47) MAPTGALK1GPR84
SCHEMBL21061026 0.76 GPR84 (0.34) ALOX15KDM4EMAPTTP53CYP3A4
SCHEMBL3029318 0.71 NGFR (0.42) ALOX15KDM4ETSHRMAPK14ALDH1A1

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 ALOX15 848/4885KDM4E 1463/4885MAPT 1394/4885

“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.