SCHEMBL817984

SCHEMBL817984

C=CCCCCC1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
LSS P48449 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL649719 0.98 CA2 (0.37) CA2LSSTSHRALDH1A1NPSR1
SCHEMBL815674 0.98 CA2 (0.37) CA2LSSTSHRALDH1A1NPSR1
SCHEMBL10027882 0.98 CA2 (0.37) CA2LSSTSHRALDH1A1NPSR1
SCHEMBL649718 0.98 CA2 (0.37) CA2LSSTSHRALDH1A1NPSR1
SCHEMBL4462470 0.87 CA2 (0.41) CA2LSSALDH1A1NPSR1
SCHEMBL19043424 0.81 CA2 (0.44) CA2TSHRALDH1A1NPSR1
SCHEMBL19287166 0.81 CA2 (0.44) CA2TSHRALDH1A1NPSR1
SCHEMBL10027893 0.81 CA2 (0.44) CA2TSHRALDH1A1NPSR1
SCHEMBL13130046 0.81 CA2 (0.47) CA2TSHRALDH1A1NPSR1
SCHEMBL8578533 0.79 CA2 (0.44) CA2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-8877881-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-11-04 US disclosed
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 US disclosed
US-8546501-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8530593-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
WO-2013077943-A1 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-05-30 WO disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed
WO-2005095469-A1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-13 WO disclosed
US-20050209420-A1 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. 2005-09-22 US 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
US-5442089-A Nomoner for polyesters, polyurethanes, polycarbonates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-15 US disclosed
US-5212015-A A substrate with polyether-polyester-polyurethane copolymers and polycarbonates for radiation transparent coatings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-18 US disclosed
US-5163060-A Polyesters, polyurethanes, polycarbonates with nonlinear optical response MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-11-10 US disclosed
US-5093456-A Polyesters, polyurethanes, polycarbonates, lasers, harmonics MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-03 US disclosed
EP-0403132-A2 Monocarbamate diols, polymers derived from them, and NLO-active materials therefrom MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-19 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 (1 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-20050209420-A1 Catalyst composition and use thereof DGAT1, DGAT2, ALOX5 CA2 2102/4885LSS 1573/4885TSHR 4852/4885

“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.