SCHEMBL9971709

SCHEMBL9971709

CCCCNc1ccccc/c1=N\c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SOAT1 P35610 1/20 0.35
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2241352 1.00 TLR8 (0.35) TLR8L3MBTL1SOAT1APAF1ALDH1A1
SCHEMBL13498062 0.92 L3MBTL1 (0.36) L3MBTL1
SCHEMBL16327362 0.82 POLB (0.35) TLR8L3MBTL1APAF1ALDH1A1CYP1A2
SCHEMBL19366237 0.79 L3MBTL1 (0.49) TLR8L3MBTL1SOAT1APAF1ALDH1A1
SCHEMBL10408702 0.73 L3MBTL1 (0.46) L3MBTL1SOAT1
SCHEMBL10408681 0.73 L3MBTL1 (0.46) L3MBTL1SOAT1
SCHEMBL28016716 0.71 SOAT1 (0.51) SOAT1
SCHEMBL1819611 0.70 ALDH1A1 (0.40) TLR8L3MBTL1SOAT1APAF1ALDH1A1
SCHEMBL309485 0.70 TLR8 (0.53) TLR8L3MBTL1APAF1ALDH1A1CYP1A2
SCHEMBL17921774 0.69 L3MBTL1 (0.52) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372927-B2 Metal-ligand complexes and catalysts DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-02-12 US disclosed
US-8202954-B2 Metal-ligand complexes and catalysts DOW GLOBAL TECHNOLOGIES LLC 2012-06-19 US disclosed
US-20110207902-A1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 US disclosed
US-20100048842-A1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 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 (2 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-20110207902-A1 METAL-LIGAND COMPLEXES AND CATALYSTS ZC3HAV1L, FARS2, ACSL4 TLR8 1550/4885L3MBTL1 1091/4885SOAT1 103/4885
US-20100048842-A1 METAL-LIGAND COMPLEXES AND CATALYSTS ZC3HAV1L, FARS2, ACSL4 TLR8 1550/4885L3MBTL1 1091/4885SOAT1 103/4885

“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.