SCHEMBL2961893

SCHEMBL2961893

CCCCCCc1c2c(c(CCCCCC)c(CCCCCC)c1CCCCCC)-c1ccccc1[CH]2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
GCGR P47871 4/20 0.39
PTPN1 P18031 1/20 0.38
GPR3 P46089 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CNR1 P21554 1/20 0.35
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2969658 0.98 GCGR (0.39) NR1H2NR1H3SETD7GCGRPTPN1
SCHEMBL2870398 0.94 SETD7 (0.35) NR1H2NR1H3SETD7GCGRPTPN1
SCHEMBL2867101 0.87 KDM4E (0.34) SETD7GCGRKDM4EALDH1A1HPGD
SCHEMBL2959542 0.81 NR1H2 (0.43) NR1H2NR1H3SETD7GCGRPTPN1
SCHEMBL2975317 0.79 GCGR (0.32) SETD7GCGR
SCHEMBL2958512 0.79 NR1H2 (0.40) NR1H2NR1H3SETD7GCGRPTPN1
SCHEMBL4455480 0.77 PTPN1 (0.36) NR1H2NR1H3SETD7GCGRPTPN1
SCHEMBL9804300 0.77 GCGR (0.43) NR1H2NR1H3GCGRPTPN1GPR3
SCHEMBL2973060 0.76 NR1H2 (0.43) NR1H2NR1H3SETD7GCGRPTPN1
SCHEMBL2965126 0.76 NR1H2 (0.43) NR1H2NR1H3SETD7GCGRPTPN1

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 NR1H2 2038/4885NR1H3 1941/4885SETD7 2101/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 NR1H2 1227/4885NR1H3 1012/4885SETD7 1306/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 NR1H2 21/4885NR1H3 44/4885SETD7 3351/4885

“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.