SCHEMBL5588679

SCHEMBL5588679

Cc1cccc(C(C)C)c1N=Cc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.35
GAA P10253 2/20 0.32
ADRA2A P08913 4/20 0.31
ADRA2B P18089 4/20 0.31
ADRA2C P18825 4/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
ADRA1D P25100 2/20 0.31
KCNH2 Q12809 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
USP1 O94782 2/20 0.31
WDR48 Q8TAF3 2/20 0.31
SLC6A2 P23975 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
SCHEMBL5589474 0.99 CTH (0.34) CTHGAAADRA2AADRA2BADRA2C
SCHEMBL5587434 0.92 CTH (0.38) CTHGAACYP1A2CYP3A4TSHR
SCHEMBL5590685 0.90 CTH (0.37) CTHCYP1A2CYP3A4TSHRTAAR1
SCHEMBL5587762 0.87 CTH (0.40) CTHGAACYP1A2RAB9AKMT2A
SCHEMBL5587760 0.87 CTH (0.40) CTHGAACYP1A2RAB9AKMT2A
SCHEMBL5589552 0.86 CTH (0.39) CTHGAACYP1A2RAB9AKMT2A
SCHEMBL5588926 0.83 NR4A1 (0.49) GAARAB9AKMT2ANR4A1
SCHEMBL18086818 0.83 NR4A1 (0.49) GAARAB9AKMT2ANR4A1
SCHEMBL5590658 0.82 NR4A1 (0.47) GAARAB9AKMT2ANR4A1
SCHEMBL5588925 0.80 LMNA (0.36) CTHCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CTH 2578/4885GAA 1882/4885ADRA2A 2464/4885

“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.