SCHEMBL21060871

SCHEMBL21060871

CCCCCCCCCCCCOc1c[nH]c(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
BAZ2B Q9UIF8 1/20 0.50
BAZ2A Q9UIF9 1/20 0.50
ALPL P05186 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMPD1 P17405 3/20 0.44
PLA2G4B P0C869 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL21060929 0.85 PLA2G2A (0.62) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL21060971 0.85 GPR84 (0.48) PLA2G2AALDH1A1TP53TSHRPLA2G4B
SCHEMBL21061098 0.81 PLA2G2A (0.45) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL21061135 0.80 MEN1 (0.48) PLA2G2AALDH1A1TP53TSHR
SCHEMBL21061253 0.79 PLA2G2A (0.42) PLA2G2ATP53TSHRSMPD1PLA2G4B
SCHEMBL9147935 0.78 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1
SCHEMBL9151583 0.78 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1
SCHEMBL21061003 0.78 GPR84 (0.42) PLA2G2AALDH1A1TP53TSHR
SCHEMBL21061002 0.78 GPR84 (0.42) PLA2G2AALDH1A1TP53TSHR
SCHEMBL21061124 0.77 GPR84 (0.44) PLA2G2AALDH1A1TSHR

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 PLA2G2A 4050/4885BAZ2B 2995/4885BAZ2A 2954/4885

“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.