SCHEMBL816628

SCHEMBL816628

CCCCC1C2C=CC(C2)C1CCCC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GLB1 P16278 1/20 0.31

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
SCHEMBL6237982 0.93 ALDH1A1 (0.38) ALDH1A1CTSKLMNAGLB1
SCHEMBL7543239 0.91 ALDH1A1 (0.41) CYP1A2ALDH1A1GLB1
SCHEMBL4880035 0.87 CYP1A2 (0.31) CYP1A2ALDH1A1CTSKLMNA
SCHEMBL4879664 0.85 CYP1A2 (0.30) CYP1A2
SCHEMBL4876972 0.85 ALDH1A1 (0.33) CYP1A2ALDH1A1CTSKLMNANFKB1
SCHEMBL7535053 0.84
SCHEMBL13370557 0.81 TSHR (0.36) ALDH1A1LMNA
SCHEMBL13370895 0.81 DNM1 (0.31) ALDH1A1
SCHEMBL11572262 0.80
SCHEMBL11799613 0.78 MGLL (0.41) ALDH1A1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US claimed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US claimed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO claimed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
EP-2368896-B1 Mono-indenyl transition metal compounds and polymerization therewith EXXONMOBIL CHEM PATENTS INC (US) 2016-08-24 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-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-8546501-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
WO-2005108435-A1 PHOSPHORUS BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO disclosed
WO-2005108410-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US 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

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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL CYP1A2 3980/4885ALDH1A1 4206/4885CTSK 3547/4885
US-20050209420-A1 Catalyst composition and use thereof DGAT1, DGAT2, ALOX5 CYP1A2 1654/4885ALDH1A1 2505/4885CTSK 3069/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885ALDH1A1 4332/4885CTSK 1701/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 CYP1A2 2280/4885ALDH1A1 4248/4885CTSK 4225/4885

“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.