SCHEMBL820442

SCHEMBL820442

CCCC[C](C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.59
CES2 O00748 4/20 0.57
CES1 P23141 4/20 0.57
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 1/20 0.50
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NAAA Q02083 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL816636 0.93 CES2 (0.58) PTGS2CES2CES1ALDH1A1ESR1
SCHEMBL1581395 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL18045476 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL19642160 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL815938 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL5968483 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL4453742 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL2761831 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL11494540 0.91 CES2 (0.59) PTGS2CES2CES1NAAA
SCHEMBL3281895 0.88 L3MBTL1 (0.44) PTGS2CES2CES1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
US-10662259-B2 Glycogen-based water solubility enhancers AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-26 US disclosed
EP-2981557-B1 GLYCOGEN-BASED WATER SOLUBILITY ENHANCERS ACRAF (IT) 2020-02-05 EP disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-20160068615-A1 GLYCOGEN-BASED WATER SOLUBILITY ENHANCERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A. F. S.p.A. (IT) 2016-03-10 US disclosed
EP-2981557-A1 GLYCOGEN-BASED WATER SOLUBILITY ENHANCERS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2016-02-10 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
WO-2014161815-A1 GLYCOGEN-BASED WATER SOLUBILITY ENHANCERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2014-10-09 WO disclosed
US-4822506-A Lubricant additives containing sulfur CIBA-GEIGY CORPORATION (US) 1989-04-18 US disclosed
EP-0271437-A1 Sulphurized lubricant additives CIBA-GEIGY AG (CH) 1988-06-15 EP disclosed
EP-0031792-B1 POLYESTER COMPOSITIONS HAVING A REDUCED CORROSIVE EFFECT ON METALS, AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-31 EP disclosed
US-4373044-A REDUCING CORROSIVE ACTION ON METALS OR ALLOYS BY INCLUDING AEROSOL OF AN OXIDE CIBA-GEIGY CORPORATION (US) 1983-02-08 US disclosed
EP-0031792-A2 Polyester compositions having a reduced corrosive effect on metals, and their use CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed
EP-0016722-A1 Stabilised flame-resistant plastics moulding composition and process for stabilising plastics made flame-resistant with organic bromine compounds CIBA-GEIGY AG (CH) 1980-10-01 EP disclosed
US-3988378-A ANTISTATIC AGENTS, STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-10-26 US disclosed
US-3936422-A Anti-static modified thermoplastics CIBA-GEIGY CORPORATION (US) 1976-02-03 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 (3 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-10662259-B2 Glycogen-based water solubility enhancers GYS2, GYS1, PYGL PTGS2 2959/4885CES2 348/4885CES1 266/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 PTGS2 3242/4885CES2 4281/4885CES1 4486/4885
US-20160068615-A1 GLYCOGEN-BASED WATER SOLUBILITY ENHANCERS GYS2, GYS1, PYGL PTGS2 2959/4885CES2 348/4885CES1 266/4885

“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.