SCHEMBL6538544

SCHEMBL6538544

CCCCCCOc1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MCHR1 Q99705 2/20 0.39
NR5A1 Q13285 1/20 0.38
SOAT1 P35610 1/20 0.38
CETP P11597 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 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
SCHEMBL20694959 0.98 GPBAR1 (0.43) GPBAR1TLR8TSHRLTA4HCYSLTR2
SCHEMBL2253966 0.94 LTA4H (0.41) GPBAR1TLR8LTA4HCYSLTR2CYSLTR1
SCHEMBL1389303 0.89 GPBAR1 (0.40) GPBAR1TLR8CYSLTR2CYSLTR1MCHR1
SCHEMBL6283599 0.86 MCHR1 (0.41) GPBAR1TLR8TSHRLTA4HCYSLTR2
SCHEMBL2458064 0.86 MCHR1 (0.41) GPBAR1TLR8TSHRLTA4HCYSLTR2
SCHEMBL2456698 0.86 MCHR1 (0.41) GPBAR1TLR8TSHRLTA4HCYSLTR2
SCHEMBL1396371 0.84 LTA4H (0.41) GPBAR1TLR8TSHRLTA4HCYSLTR2
SCHEMBL1127483 0.83 MAPK1 (0.38) TLR8LTA4H
SCHEMBL2256189 0.80 L3MBTL1 (0.41) GPBAR1TLR8TSHRLTA4HCYSLTR2
SCHEMBL2252881 0.76 KCNH2 (0.39) TLR8CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
EP-3904337-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM Wako Pure Chemical Corporation (JP) 2021-11-03 EP disclosed
EP-3439097-B1 ELECTROLYTE SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-12-30 EP disclosed
US-10727534-B2 Electrolyte solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-07-28 US disclosed
WO-2020138377-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL 富士フイルム和光純薬株式会社 2020-07-02 WO disclosed
US-20190131657-A1 ELECTROLYTE SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-05-02 US disclosed
EP-3439097-A1 ELECTROLYTE SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM Wako Pure Chemical Corporation (JP) 2019-02-06 EP disclosed
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 WO 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 (4 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-10727534-B2 Electrolyte solution containing magnesium ions MLX, PRDX1, PRDX6 GPBAR1 242/4885TLR8 2468/4885TSHR 2008/4885
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL SLC26A3, PRDX4, PRDX2 GPBAR1 117/4885TLR8 4273/4885TSHR 345/4885
US-20190131657-A1 ELECTROLYTE SOLUTION CONTAINING MAGNESIUM IONS MLX, PRDX1, PRDX6 GPBAR1 242/4885TLR8 2468/4885TSHR 2008/4885
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA GPBAR1 971/4885TLR8 2738/4885TSHR 2112/4885

“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.