SCHEMBL22005122

SCHEMBL22005122

CCCC(C)c1cc(C(N)=O)cc(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
TTR P02766 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
ACLY P53396 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL22022205 0.81 GABRA1 (0.47) LMNAHTTTTR
SCHEMBL22004402 0.75 GABRA1 (0.44) ESR1HSD17B10TSHRACLYMEN1
SCHEMBL21883610 0.75 IDO1 (0.34) ESR1HSD17B10ACLY
SCHEMBL4104322 0.73 TTR (0.62) LMNAHTTESR1HSD17B10TSHR
SCHEMBL22005121 0.72 TTR (0.37) TTRSLC6A3ACLYMEN1KMT2A
SCHEMBL22004343 0.71 ESR1 (0.46) LMNAHTTESR1HSD17B10KDM4E
SCHEMBL25466542 0.69 HSD17B10 (0.44) HSD17B10TAS1R3TAS1R1PARP10
SCHEMBL19780142 0.68 GABRA1 (0.41) LMNAHTTKDM4ETSHRTAS1R3
SCHEMBL20099495 0.68 GABRA1 (0.56) LMNAHTTTSHRSLC6A2
SCHEMBL807514 0.68 LMNA (0.46) LMNAHTTHSD17B10KDM4ETSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG LMNA 2463/4885HTT 4501/4885ESR1 4447/4885

“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.