SCHEMBL4457396

SCHEMBL4457396

CCC(C)C1=Cc2c(cccc2-c2ccccc2)[CH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TSHR P16473 1/20 0.32
KCNQ2 O43526 1/20 0.31
MAPT P10636 1/20 0.31
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL27494194 0.94
SCHEMBL1242049 0.92
SCHEMBL4469170 0.88 KDM4E (0.34) PDCD1CD274KDM4E
SCHEMBL6380921 0.86 PTPN1 (0.32) KDM4E
SCHEMBL4463931 0.85 PTAFR (0.33)
SCHEMBL4457465 0.84 CDC25B (0.35) PDCD1CD274
SCHEMBL4465018 0.84 GSTP1 (0.36) TRPA1KDM4E
SCHEMBL5721854 0.83 TRPA1 (0.31) TRPA1
SCHEMBL27757699 0.83 CDC25A (0.34) PDCD1CD274
SCHEMBL4478710 0.81 PPARG (0.34) MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed
CN-1191285-C Ethylene/alpha-olefin/unconjugated polyene copolymer rubber, rubber composition for sealing, molded rubber for sealing, and process for producing the molded rubber MITSUI CHEMICALS INC (JP) 2005-03-02 CN disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 US disclosed
EP-1294733-A1 BRIDGED BIS(INDENYL)METALLOCENE COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2003-03-26 EP disclosed
WO-2002002575-A1 METALLOCENES WITH A BRIDGED 4-PHENYL-INDENYL-LIGAND FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2002-01-10 WO disclosed
CN-1310730-A Ethylene-alpha-olefin-nonconjugated polyene copolymer rubber, rubber composition for sealing, molded rubber article for sealing, and process for producing molded article MITSUI CHEMICALS INC (JP) 2001-08-29 CN 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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX PDCD1 178/4885CD274 49/4885TSHR 3596/4885

“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.