SCHEMBL4359130

SCHEMBL4359130

O=C1CCC(c2ccccc2CCl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.38
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.34
NAAA Q02083 1/20 0.34
ADRA1A P35348 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
PDE10A Q9Y233 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11838973 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TP53RECQL
SCHEMBL3534847 0.84 ESR2 (0.39) ESR2SLC6A2SLC6A4SLC6A3TP53
SCHEMBL11754963 0.79 PTGDR2 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1NAAA
SCHEMBL28184636 0.79 HRH1 (0.38) ESR2SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL27267184 0.78 ESR2 (0.47) ESR2TP53RECQLIKBKBALDH1A1
SCHEMBL504941 0.76 TP53 (0.61) ESR2SLC6A3TP53RECQLALDH1A1
SCHEMBL27735857 0.73 NAAA (0.47) ESR2SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL28223040 0.72 IKBKB (0.41) ESR2SLC6A2SLC6A4SLC6A3TP53
SCHEMBL14458709 0.72 L3MBTL1 (0.46) ALDH1A1TSHRKMT2AKDM4EHTT
SCHEMBL6953228 0.72 HCAR2 (0.43) ESR2SLC6A2SLC6A4SLC6A3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091433-A2 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-07-23 WO disclosed
US-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 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-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE ESR2 1687/4885SLC6A2 3142/4885SLC6A4 3458/4885

“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.