SCHEMBL4358923

SCHEMBL4358923

CC(=O)Oc1ccc(CC2CCC(=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
CYP26A1 O43174 1/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL7368042 0.81 CYP26A1 (0.49) GLACYP26A1KMT2AMEN1
SCHEMBL11222246 0.78 LMNA (0.42) GLASLC6A2SLC6A3ESR1PGR
SCHEMBL4359580 0.76 ESR2 (0.56) GLASLC6A2SLC6A3ESR1PGR
SCHEMBL6794966 0.76 LOXL2 (0.50) MAPTKMT2AMEN1ALDH1A1
SCHEMBL8008639 0.75 OPRM1 (0.42) LMNAMAPT
SCHEMBL4364820 0.75 ESR2 (0.53) ESR1CYP26A1
SCHEMBL27979790 0.74 KMT2A (0.50) KMT2AMEN1GAAALDH1A1
SCHEMBL4090180 0.74 HRH3 (0.49) GLASLC6A2POLBKMT2ASLC6A4
Bicarbonate SCHEMBL2854194 0.74 GBA1 (0.52) LMNAKMT2AMEN1GAA
SCHEMBL6785682 0.72 ALDH1A1 (0.50) SLC6A2LMNAKMT2ASLC6A4MEN1

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 GLA 4215/4885SLC6A2 3142/4885SLC6A3 2224/4885

“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.