SCHEMBL815923

SCHEMBL815923

CCCCC(CC)c1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
BDKRB2 P30411 1/20 0.30

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
SCHEMBL815246 0.95 NR1I2 (0.42) NR1I2ALDH1A1MEN1KMT2ACNR2
SCHEMBL982661 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL979970 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL983398 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL983279 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL3207368 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL982809 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL9576069 0.93 NR1I2 (0.44) NR1I2ALDH1A1KDM4EMEN1MAPK1
SCHEMBL817103 0.93 CNR2 (0.33) NR1I2ALDH1A1CA2CYP3A4KDM4E
SCHEMBL815962 0.89 NR1I2 (0.36) NR1I2ALDH1A1MEN1KMT2ACNR2

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 57 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
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20060135353-A1 Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-06-22 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 NR1I2 3415/4885ALDH1A1 2181/4885CA2 2455/4885
US-20060135353-A1 Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization MCM5, MLX, NR0B2 NR1I2 115/4885ALDH1A1 4665/4885CA2 894/4885

“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.