SCHEMBL5590532

SCHEMBL5590532

CCc1cc(CC)c(/N=C(\C)c2ccc(/C(C)=N/c3c(CC)cc(CC)cc3CC)s2)c(CC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 3/20 0.33
GSK3B P49841 1/20 0.32
SIGMAR1 Q99720 6/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BACE1 P56817 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 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
SCHEMBL5590533 1.00 HSPA5 (0.33) HSPA5MEN1KMT2AGAAGSK3B
SCHEMBL5588307 0.78 PLAU (0.34) HSPA5MEN1KMT2AGAASIGMAR1
SCHEMBL5588302 0.78 PLAU (0.34) HSPA5MEN1KMT2AGAASIGMAR1
SCHEMBL5587258 0.74 CYP1A2 (0.40) MEN1KMT2AGAASIGMAR1ALDH1A1
SCHEMBL5587255 0.74 CYP1A2 (0.40) MEN1KMT2AGAASIGMAR1ALDH1A1
SCHEMBL5588100 0.73 CYP1A2 (0.39) MEN1KMT2AGAASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7175784 0.73 CYP1A2 (0.39) MEN1KMT2AGAASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7183077 0.72 CYP1A2 (0.38) MEN1KMT2AGAASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7171124 0.72 CYP1A2 (0.38) MEN1KMT2AGAASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7176032 0.72 CYP1A2 (0.38) MEN1KMT2AGAASIGMAR1ALDH1A1

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 HSPA5 2101/4885MEN1 3377/4885KMT2A 1733/4885

“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.