SCHEMBL2973993

SCHEMBL2973993

CCCCC1=C(c2ccccc2)[CH]c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
PSMB5 P28074 1/20 0.35
PTPN1 P18031 1/20 0.34
SOAT1 P35610 2/20 0.33
TSHR P16473 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SETD7 Q8WTS6 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 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
SCHEMBL2963899 0.95 GPR84 (0.39) HSD11B1PTPN1SOAT1GPR84SETD7
SCHEMBL2964258 0.94 NR1H2 (0.39) HSD11B1PTPN1SOAT1GPR84SETD7
SCHEMBL2964832 0.94 NR1H2 (0.39) HSD11B1PTPN1SOAT1GPR84SETD7
SCHEMBL2960913 0.94 NR1H2 (0.39) HSD11B1PTPN1SOAT1GPR84SETD7
SCHEMBL2964405 0.94 NR1H2 (0.39) HSD11B1PTPN1SOAT1GPR84SETD7
SCHEMBL2972875 0.94 NR1H2 (0.39) HSD11B1PTPN1SOAT1GPR84SETD7
SCHEMBL2969309 0.90 ADORA3 (0.35) HSD11B1PSMB5SETD7NR1H2NR1H3
SCHEMBL218029 0.90 ALDH1A1 (0.32) KDM4EADORA3ADORA1
SCHEMBL2963710 0.86 HSD11B1 (0.36) HSD11B1PTPN1SETD7NR1H2NR1H3
SCHEMBL2965085 0.84 NR1H2 (0.38) HSD11B1PTPN1SETD7NR1H2NR1H3

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 10 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
WO-2000020466-A1 CATALYST SYSTEM TARGOR GMBH (DE) 2000-04-13 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 (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 HSD11B1 4589/4885PSMB5 3373/4885PTPN1 748/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 HSD11B1 4377/4885PSMB5 1605/4885PTPN1 4091/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 HSD11B1 3445/4885PSMB5 2229/4885PTPN1 1575/4885

“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.