SCHEMBL218312

SCHEMBL218312

CCCCCCCCCCCCCCCCCCCCCC([NH])=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.62
CES1 P23141 4/20 0.62
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 5/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL5510390 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL76015 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL217920 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL216281 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL42015 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL6755768 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL78734 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL217644 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL218241 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL502175 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070140-A2 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-06-16 WO claimed
EP-1071702-A1 FATTY ACID DERIVATIVES OF BILE ACIDS AND BILE ACID DERIVATIVES Galmed International Ltd. (MT) 2001-01-31 EP claimed
WO-1999052932-A1 FATTY ACID DERIVATIVES OF BILE ACIDS AND BILE ACID DERIVATIVES GALMED INTERNATIONAL LTD. (MT) 1999-10-21 WO claimed
US-5679652-A THERAPY FOR CANCER, INFECTIONS SCHOTT HERBERT (DE) 1997-10-21 US claimed
EP-0642527-B1 AMPHIPHILIC NUCLEOSIDE PHOSPHATE ANALOGS SCHOTT HERBERT (DE) 1996-01-10 EP claimed
US-11166964-B2 Treatment for modulating gut microbiota GALMED RESEARCH AND DEVELOPMENT LTD (IL) 2021-11-09 US disclosed
US-20210169901-A1 TREATMENT FOR MODULATING GUT MICROBIOTA GALMED RESEARCH AND DEVELOPMENT LTD. (IL) 2021-06-10 US disclosed
CN-111233926-B Thiamine compound, preparation method and pharmaceutical composition thereof 上海日馨生物科技有限公司 2021-04-16 CN disclosed
CN-111233925-B Thiamine compound, preparation method and pharmaceutical composition thereof 上海日馨生物科技有限公司 2021-03-26 CN disclosed
CN-111233926-A Thiamine compound, preparation method and pharmaceutical composition thereof 上海日馨生物科技有限公司 2020-06-05 CN disclosed
CN-111233925-A Thiamine compound, preparation method and pharmaceutical composition thereof 上海日馨生物科技有限公司 2020-06-05 CN disclosed
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 EP disclosed
EP-0648765-A1 Process for the production of 3-arylbenzofuranones CIBA-GEIGY AG (CH) 1995-04-19 EP disclosed
EP-0644190-A1 Benzofuran-2-ones as stabilizers CIBA-GEIGY AG (CH) 1995-03-22 EP disclosed
EP-0591102-A1 3-(2-Acyloxyethoxyphenyl)benzofuran-2-ones as stabilizers CIBA-GEIGY AG (CH) 1994-04-06 EP disclosed
EP-0589839-A1 3-(Dihydrobenzofuran-5-yl)benzofuran-2-ones as stabilizers CIBA-GEIGY AG (CH) 1994-03-30 EP disclosed
EP-0102319-B1 PROPHYLACTIC AND THERAPEUTIC USE OF MURAMYL PEPTIDES AND THEIR ANALOGUES AGAINST VIRAL INFECTIONS CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
US-4436521-A Process for producing dyed and anti-shrink treated wool SANDOZ LTD. (CH) 1984-03-13 US disclosed
EP-0102319-A1 Prophylactic and therapeutic use of muramyl peptides and their analogues against viral infections CIBA-GEIGY AG (CH) 1984-03-07 EP disclosed
EP-0056992-A1 Phosphorylated derivatives, pharmaceutical compositions containing such derivatives, and their use CIBA-GEIGY AG (CH) 1982-08-04 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-20210169901-A1 TREATMENT FOR MODULATING GUT MICROBIOTA NR1H4, SLC10A2, FABP2 CES2 1593/4885CES1 55/4885GPR84 372/4885
US-11166964-B2 Treatment for modulating gut microbiota NR1H4, SLC10A2, FABP2 CES2 1593/4885CES1 55/4885GPR84 372/4885

“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.