SCHEMBL2963335

SCHEMBL2963335

CCCCC[C]1C(CCCCC)=C(CCCCC)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
GPR3 P46089 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 3/20 0.38
CNR1 P21554 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALOX5 P09917 7/20 0.35
MPEG1 Q2M385 5/20 0.35
XIAP P98170 2/20 0.35
GPR84 Q9NQS5 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2966726 0.98 PTPN1 (0.44) PTPN1GPR3NR1H2NR1H3LIPG
SCHEMBL2867248 0.94 TDP1 (0.35) PTPN1GPR3NR1H2NR1H3LIPG
SCHEMBL2862454 0.81 KDM4E (0.32) PTPN1KDM4EALDH1A1HPGD
SCHEMBL8600235 0.81 PTPN1 (0.49) PTPN1GPR3NR1H2NR1H3LIPG
SCHEMBL3921016 0.76 BCHE (0.39) PTPN1GPR3NR1H2NR1H3LIPG
SCHEMBL27619060 0.74 BCHE (0.38) PTPN1GPR3NR1H2NR1H3LIPG
SCHEMBL1023271 0.72 TDP1 (0.47) PTPN1KCNH2CNR1TDP1L3MBTL1
SCHEMBL2972532 0.72 TDP1 (0.35) PTPN1GPR3NR1H2NR1H3LIPG
SCHEMBL6088986 0.72 PTPN1 (0.62) PTPN1NR1H2NR1H3L3MBTL1MEN1
SCHEMBL2958497 0.72 ALDH1A1 (0.35) PTPN1GPR3NR1H2NR1H3LIPG

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 PTPN1 748/4885GPR3 2530/4885NR1H2 2038/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 PTPN1 4091/4885GPR3 1148/4885NR1H2 1227/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 PTPN1 1575/4885GPR3 635/4885NR1H2 21/4885

“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.