SCHEMBL5587839

SCHEMBL5587839

[C-]#[N+]c1cccc(Cl)c1Cl.[Pd].c1ccc([As](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
LMNA P02545 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
SCHEMBL29957142 0.83 TSHR (0.42) TSHRCYP1A2CYP2A6LMNA
SCHEMBL377007 0.83 TSHR (0.42) TSHRCYP1A2CYP2A6LMNA
Hydrochloric Acid SCHEMBL3291195 0.81 TSHR (0.41) TSHRCYP1A2CYP2A6LMNA
SCHEMBL5590657 0.79 CYP3A4 (0.41) TSHRLMNA
SCHEMBL5588312 0.76 CYP3A4 (0.41) TSHRLMNA
SCHEMBL653876 0.70
SCHEMBL29953266 0.70
SCHEMBL5587462 0.69 PNMT (0.33) TSHRCYP1A2LMNA
Hydrochloric Acid SCHEMBL8436823 0.68 TSHR (0.45) TSHRCYP1A2CYP2A6LMNA
SCHEMBL11861896 0.67 ALDH1A1 (0.38) TSHRCYP2A6LMNA

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 TSHR 4680/4885CYP1A2 2390/4885CYP2A6 2765/4885

“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.