SCHEMBL21061014

SCHEMBL21061014

CCCCCCCCCCCC(C)(C)CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GGPS1 O95749 6/20 0.43
THRB P10828 1/20 0.42
FDPS P14324 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40

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
SCHEMBL706771 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL1021722 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL12264009 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL1660561 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL1021089 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL6327464 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL6322452 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL22748594 1.00 LMNA (0.46) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL1028937 0.97 SMN1; SMN2 (0.43) LMNATSHRALDH1A1HSD17B10MEN1
Bromide SCHEMBL28217329 0.95 LMNA (0.42) LMNATSHRALDH1A1HSD17B10MEN1

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 5 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
WO-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO 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 LMNA 4141/4885TSHR 4181/4885ALDH1A1 129/4885

“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.