SCHEMBL21060924

SCHEMBL21060924

CCCCCCCCCCc1c[nH]c(C(=O)OC)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 4/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
PTGS2 P35354 3/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
PPARG P37231 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL21060969 1.00 PPARA (0.38) PPARACNR2MEN1ALDH1A1KMT2A
SCHEMBL21061077 1.00 PPARA (0.38) PPARACNR2MEN1ALDH1A1KMT2A
SCHEMBL21060955 1.00 PPARA (0.38) PPARACNR2MEN1ALDH1A1KMT2A
SCHEMBL21060893 1.00 PPARA (0.38) PPARACNR2MEN1ALDH1A1KMT2A
SCHEMBL21061141 1.00 PPARA (0.38) PPARACNR2MEN1ALDH1A1KMT2A
SCHEMBL21060983 0.84 BID (0.43) PPARAMEN1ALDH1A1KMT2ABID
SCHEMBL21061161 0.84 BID (0.43) PPARAMEN1ALDH1A1KMT2ABID
SCHEMBL21061152 0.84 BID (0.43) PPARAMEN1ALDH1A1KMT2ABID
SCHEMBL21060976 0.84 BID (0.43) PPARAMEN1ALDH1A1KMT2ABID
SCHEMBL21060891 0.84 BID (0.43) PPARAMEN1ALDH1A1KMT2ABID

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 PPARA 384/4885CNR2 3505/4885MEN1 4611/4885

“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.