SCHEMBL2969658

SCHEMBL2969658

CCCCCc1c2c(c(CCCCC)c(CCCCC)c1CCCCC)-c1ccccc1[CH]2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
PTPN1 P18031 1/20 0.36
GPR3 P46089 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
CNR1 P21554 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2961893 0.98 NR1H2 (0.39) GCGRNR1H2NR1H3SETD7PTPN1
SCHEMBL2870398 0.95 SETD7 (0.35) GCGRNR1H2NR1H3SETD7PTPN1
SCHEMBL2867101 0.88 KDM4E (0.34) GCGRSETD7KDM4EALDH1A1GAA
SCHEMBL2975317 0.80 GCGR (0.32) GCGRSETD7
SCHEMBL2958512 0.80 NR1H2 (0.40) GCGRNR1H2NR1H3SETD7PTPN1
SCHEMBL2959542 0.79 NR1H2 (0.43) GCGRNR1H2NR1H3SETD7PTPN1
SCHEMBL9804300 0.79 GCGR (0.43) GCGRNR1H2NR1H3PTPN1GPR3
SCHEMBL4455480 0.76 PTPN1 (0.36) GCGRNR1H2NR1H3SETD7PTPN1
SCHEMBL2868375 0.75 NR1H2 (0.35) GCGRNR1H2NR1H3SETD7GPR3
SCHEMBL2970956 0.75 NR1H2 (0.41) GCGRNR1H2NR1H3SETD7PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US 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

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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL GCGR 4171/4885NR1H2 2038/4885NR1H3 1941/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 GCGR 4132/4885NR1H2 1227/4885NR1H3 1012/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 GCGR 1239/4885NR1H2 21/4885NR1H3 44/4885

“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.