SCHEMBL2961875

SCHEMBL2961875

CCCCc1ccccc1[N]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TLR8 Q9NR97 2/20 0.41
TYR P14679 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
CTRC Q99895 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL2971160 0.93 LIPG (0.55) LIPGTLR8NR1H2NR1H3ALOX5
SCHEMBL2969852 0.91 LIPG (0.58) LIPGCYP3A4TYRNR1H2NR1H3
SCHEMBL139633 0.86 LIPG (0.36) LIPG
SCHEMBL29520482 0.83 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL245188 0.83 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL2049761 0.80 LIPG (0.54) LIPGCYP3A4CYP2D6CYP2C9TLR8
Ammonia Solution, Strong SCHEMBL28991000 0.80 LIPG (0.54) LIPGCYP3A4CYP2D6CYP2C9TLR8
Benzene SCHEMBL3118223 0.80 LIPG (0.54) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL29414141 0.80 LIPG (0.54) LIPGCYP3A4CYP2D6CYP2C9TLR8
Hydrogen Sulfide SCHEMBL28851632 0.80 LIPG (0.54) LIPGCYP3A4CYP2D6CYP2C9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7770534-B2 Changed condition indicator THERMOPROX 2010-08-10 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070151502-A1 Changed condition indicator THERMOPROX 2007-07-05 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-6984722-B2 Cationic group 3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-01-10 US disclosed
US-6677441-B2 CATIONIC GROUP 3 OR LANTHANIDE METAL COMPLEX STABILIZED BY A MONOANIONIC BIDENTATE ANCILLARY LIGAND AND TWO MONOANIONIC LIGANDS; COORDINATION POLYMERIZATION OF OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-01-13 US disclosed
US-6403773-B1 GROUP 3 OR LANTHANIDE METAL COMPLEX WHICH FORMS ACTIVE CATIONIC CATALYST SPECIES FOR PRODUCTION OF POLYOLEFINS HAVING HIGH MOLECULAR WEIGHT EXXON MOBIL CHEMICAL PATENTS INC. 2002-06-11 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 (1 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 LIPG 3839/4885CYP3A4 1385/4885CYP2D6 2519/4885

“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.