Sugi Predict

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SCHEMBL5587258

SCHEMBL5587258

CCc1cc(CC)c(N=C(C)c2cccc(C(C)=Nc3c(CC)cc(CC)cc3CC)n2)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ SIGMAR1 Q99720 8/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL5587255 1.00 CYP1A2 (0.40) CYP1A2SIGMAR1MEN1GAAKMT2A
SCHEMBL5588100 0.98 CYP1A2 (0.39) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7175784 0.98 CYP1A2 (0.39) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7176032 0.97 CYP1A2 (0.38) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7181878 0.97 CYP1A2 (0.38) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7176677 0.97 CYP1A2 (0.38) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7171124 0.97 CYP1A2 (0.38) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7183077 0.97 CYP1A2 (0.38) CYP1A2SIGMAR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7173336 0.97 CYP1A2 (0.38) CYP1A2SIGMAR1MEN1GAAKMT2A
SCHEMBL5606108 0.94 CYP1A2 (0.40) CYP1A2SIGMAR1MEN1GAAKMT2A

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 CYP1A2 2390/4885SIGMAR1 1143/4885MEN1 3377/4885

“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.