SCHEMBL4359580

SCHEMBL4359580

CC(=O)Oc1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.56
GLA P06280 2/20 0.49
LMNA P02545 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
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
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
ELANE P08246 1/20 0.42
CUL4A Q13619 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 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
SCHEMBL4443112 0.88 LMNA (0.55) ESR2GLALMNAESR1PGR
SCHEMBL1790363 0.84 LMNA (0.52) GLALMNAESR1PGRCHRM2
SCHEMBL28935806 0.83 ESR2 (0.56) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL1790802 0.83 MAPT (0.50) GLALMNAHRH3ESR1PGR
SCHEMBL20603030 0.81 ESR2 (0.45) ESR2GLALMNAESR1PGR
SCHEMBL20620789 0.81 ESR2 (0.45) ESR2GLALMNAESR1PGR
SCHEMBL4359622 0.81 CYP3A4 (0.49) ESR2LMNAHSD17B10PDE4APDE4B
SCHEMBL14877967 0.81 ESR2 (0.55) ESR2GLALMNAESR1PGR
SCHEMBL14950767 0.80 MAPT (0.50) GLALMNAESR1PGRCHRM2
SCHEMBL27868171 0.79 ESR2 (0.47) ESR2HRH3POLBPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139470-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-12 US disclosed
US-20220411396-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-12-29 US disclosed
US-20220411396-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-12-29 US disclosed
US-11072594-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-11072594-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-20200140406-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 US disclosed
US-20200140406-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 US disclosed
WO-2019005977-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-03 WO disclosed
WO-2009091433-A2 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-07-23 WO disclosed
US-6825230-B2 PEROXY COMPOUNDS SUCH AS ADAMANTANE-2-SPIRO-3'-8'-((1'S)-10'-CAMPHORSULFONYL)-1',2',4'-TRIOXA-8' -AZASPIRO(4.5) DECANE, USED FOR PROPHYLAXIS OF MALARIA OR SCHISTOSOMIASIS INFECTIONS MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-11-30 US disclosed
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURES MMV (CH) 2004-02-26 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 (5 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-20220411396-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 ESR2 640/4885GLA 1326/4885LMNA 1059/4885
US-11072594-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 ESR2 640/4885GLA 1326/4885LMNA 1059/4885
US-20200140406-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 ESR2 640/4885GLA 1326/4885LMNA 1059/4885
US-12139470-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 ESR2 640/4885GLA 1326/4885LMNA 1059/4885
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE ESR2 1687/4885GLA 4215/4885LMNA 4505/4885

“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.