SCHEMBL23645995

SCHEMBL23645995

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ESR1 P03372 2/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PPARA Q07869 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
SCHEMBL21060869 0.94 LMNA (0.41) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061142 0.94 LMNA (0.41) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061139 0.93 ESR1 (0.42) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061036 0.93 ESR1 (0.42) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061185 0.93 ESR1 (0.42) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061018 0.93 ESR1 (0.42) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061034 0.93 ESR1 (0.42) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061178 0.93 ESR1 (0.42) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21061134 0.91 LMNA (0.39) LMNAESR1AKR1C4AKR1C3AKR1C2
SCHEMBL21060878 0.88 KDM4E (0.43) LMNAALDH1A1CYP3A4MAPK1NPC1

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
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN claimed
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

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 4141/4885ESR1 3832/4885AKR1C4 101/4885

“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.