SCHEMBL5589710

SCHEMBL5589710

Cc1cc(C(C)C)c(N=Cc2ncccn2)c(C(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL5590079 0.98 TRPA1 (0.30) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5588389 0.84
SCHEMBL5589579 0.83 GABRA1 (0.36) LMNASLC6A2HTR2BCYP1A2CYP3A4
SCHEMBL5587662 0.81 NR4A1 (0.50) LMNACYP1A2CYP3A4CYP2C9PKM
SCHEMBL5588096 0.81 GABRA1 (0.35) LMNASLC6A2HTR2BCYP1A2CYP3A4
SCHEMBL5589004 0.80 NR4A1 (0.49) LMNACYP1A2CYP3A4CYP2C9PKM
SCHEMBL5587851 0.79 MAPT (0.39) LMNAMAPTKMT2A
SCHEMBL5587854 0.79 MAPT (0.39) LMNAMAPTKMT2A
SCHEMBL5589730 0.78 ADRB2 (0.33) LMNASLC6A2HTR2BCYP1A2CYP3A4
SCHEMBL5590673 0.77 MAPT (0.38) MAPTKMT2A

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 TRPA1 1912/4885LMNA 178/4885CHRM1 163/4885

“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.