SCHEMBL21060940

SCHEMBL21060940

CCCCCCCCCOC(=O)OC(C)Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 5/20 0.42

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
SCHEMBL7871772 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7774471 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7860524 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL1783419 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL5615669 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL31112385 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL27572350 0.98 NAAA (0.48) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10662861 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL3405733 0.92 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2LMNA
SCHEMBL31112146 0.86 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52

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 NAAA 611/4885EPHX1 1818/4885TSHR 4181/4885

“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.