SCHEMBL5589752

SCHEMBL5589752

Cc1cc(C)c(N=C(c2ccccc2)c2cccc(C(=Nc3c(C)cc(C)cc3C)c3ccccc3)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LCK P06239 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
AGTR1 P30556 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL14280811 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL5589661 0.98 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTMAPT
Hydrochloric Acid SCHEMBL7044267 0.97 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTMAPT
Hydrochloric Acid SCHEMBL7044265 0.97 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL23982608 0.92 RAB9A (0.38) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL21078305 0.90 RAB9A (0.39) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL25647091 0.90 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL25940738 0.89 MEN1 (0.34) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL5590682 0.89 GRIN2D (0.39) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL14280799 0.89 GRIN2D (0.39) ALDH1A1SMN1; SMN2LMNAHTTMAPT

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 5 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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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 ALDH1A1 2181/4885SMN1; SMN2 3076/4885LMNA 178/4885

“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.