SCHEMBL2963085

SCHEMBL2963085

CC1=C(c2cccc(C)c2C)[CH]c2ccc(C)c(C)c21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
NUDT1 P36639 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2956832 0.85 TDP2 (0.41) TDP2NSD2HSP90AA1PAX8
SCHEMBL2967090 0.82 CYP1A2 (0.44) ATM
SCHEMBL2959666 0.81 TDP2 (0.33) TDP2NSD2HSP90AA1PAX8TRPA1
SCHEMBL2975633 0.78 TRPA1 (0.34) NUDT1TRPA1ATM
SCHEMBL2970264 0.76 CYP1A2 (0.31) TDP2NSD2HSP90AA1PAX8
SCHEMBL2044930 0.70 TDP2 (0.43) TDP2NSD2HSP90AA1PAX8
SCHEMBL2967560 0.69 TLR8 (0.33)
SCHEMBL2318555 0.69 TDP2 (0.46) TDP2NSD2HSP90AA1PAX8NUDT1
SCHEMBL30165719 0.69 TDP2 (0.46) TDP2NSD2HSP90AA1PAX8NUDT1
SCHEMBL218508 0.68 TRPA1 (0.52) NUDT1TRPA1ATM

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 TDP2 4044/4885NSD2 3076/4885HSP90AA1 4340/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TDP2 4139/4885NSD2 2977/4885HSP90AA1 4399/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 TDP2 4185/4885NSD2 3838/4885HSP90AA1 2878/4885

“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.