SCHEMBL918249

SCHEMBL918249

O=COC1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
HTR3A P46098 1/20 0.41
DRD2 P14416 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
IDO1 P14902 2/20 0.38
SRD5A1 P18405 2/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.37
SLC18A3 Q16572 1/20 0.37
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37

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
SCHEMBL716701 0.84 ADRB2 (0.41) SLC2A1HTR3ADRD2MAPTKMT2A
SCHEMBL10695866 0.84 MAP1LC3B (0.38) DRD2MEN1KMT2AMAP1LC3BHTR1A
SCHEMBL10695315 0.82 SLC18A3 (0.37) CYP2C9HPGDSLC18A3POLB
SCHEMBL9810698 0.81 SLC18A3 (0.44) MAPTKMT2AHPGDIDO1SLC18A3
SCHEMBL14864487 0.78 NPC1 (0.38) MAPTLMNATP53MAP1LC3BSLC18A3
SCHEMBL315186 0.78 HTR3A (0.58) SLC2A1HTR3ADRD2MAPTMEN1
SCHEMBL9347324 0.77 SLC18A3 (0.45) MAPTLMNAIDO1SLC18A3ALDH1A1
SCHEMBL5271028 0.76 HTR3A (0.44) SLC2A1HTR3ADRD2MAPTMEN1
SCHEMBL8972206 0.76 HTR3A (0.44) SLC2A1HTR3ADRD2MAPTMEN1
SCHEMBL23578560 0.74 HTR3A (0.50) SLC2A1HTR3ADRD2MAPTMEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598387-B2 Process for the preparation of atovaquone GLAXO GROUP LIMITED (GB) 2013-12-03 US claimed
EP-2651868-A2 PROCESS FOR THE PREPARATION OF ATOVAQUONE Glaxo Group Limited (GB) 2013-10-23 EP claimed
US-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE GLAXO GROUP LIMITED (GB) 2013-10-10 US claimed
WO-2012080243-A2 NOVEL PROCESS GLAXO GROUP LIMITED (GB) 2012-06-21 WO claimed
WO-2010023686-A2 CRYSTALLINE FORM OF 2-CHLORO-3-[4-(4-CHLOROPHENYL) CYCLOHEXYL] [1,4]NAPHTHOQUINONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 2-[4-(4-CHLOROPHENYL)CYCLOHEXYL]-3- HYDROXY- 1,4- NAPHTHOQUINONE MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO claimed
WO-2009007991-A2 A NEW PROCESS FOR PREPARATION OF ATOVAQUONE AND NOVEL INTERMEDIATES THEREOF IPCA LABORATORIES LIMITED (IN) 2009-01-15 WO claimed
CN-110734369-B Preparation method of atovaquone 新发药业有限公司 2022-08-12 CN disclosed
CN-110734369-A Preparation method of atovaquones 新发药业有限公司 2020-01-31 CN disclosed
US-8598387-B2 Process for the preparation of atovaquone GLAXO GROUP LIMITED (GB) 2013-12-03 US disclosed
EP-2651868-A2 PROCESS FOR THE PREPARATION OF ATOVAQUONE Glaxo Group Limited (GB) 2013-10-23 EP disclosed
US-8283499-B2 Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone ALKEM LABORATORIES LIMITED (IN) 2012-10-09 US disclosed
WO-2012080243-A2 NOVEL PROCESS GLAXO GROUP LIMITED (GB) 2012-06-21 WO disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
WO-2009007991-A2 A NEW PROCESS FOR PREPARATION OF ATOVAQUONE AND NOVEL INTERMEDIATES THEREOF IPCA LABORATORIES LIMITED (IN) 2009-01-15 WO disclosed
WO-2008122988-A1 PROCESS FOR PREPARATION OF ATOVAQUONE AND THE CONVERSION OF CIS-ISOMER TO TRANS- ISOMER CADILA HEALTHCARE LIMITED (IN) 2008-10-16 WO disclosed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US disclosed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
EP-0102047-B1 1-(TRANS-4-ALKYLCYCLOHEXYL)-2-(TRANS-4'-(P-SUBSTITUTED PHENYL)CYCLOHEXYL)ETHANE AND LIQUID CRYSTAL MIXTURE ASAHI GLASS COMPANY LTD. (JP) 1986-05-07 EP disclosed
US-4514044-A 1-(Trans-4-alkylcyclohexyl)-2-(trans-4'-(p-substituted phenyl) cyclohexyl)ethane and liquid crystal mixture ASAHI GLASS COMPANY LTD. (JP) 1985-04-30 US disclosed
EP-0102047-A1 1-(Trans-4-alkylcyclohexyl)-2-(trans-4'-(p-substituted phenyl)cyclohexyl)ethane and liquid crystal mixture ASAHI GLASS COMPANY LTD. (JP) 1984-03-07 EP 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 (2 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-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R SLC2A1 1168/4885HTR3A 77/4885DRD2 517/4885
US-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE DHPS, VKORC1, DPYD SLC2A1 2286/4885HTR3A 3301/4885DRD2 1929/4885

“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.