Ethyne

Ethyne

SCHEMBL5589783

C#C.[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.80
▸ CYP3A4 P08684 1/20 0.80
▸ ESR1 P03372 4/20 0.57
▸ ESR2 Q92731 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DRD1 P21728 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 3/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA14 Q9ULX7 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
Ethyne SCHEMBL28783956 0.97 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Ethyne SCHEMBL5590651 0.93 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1991340 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL123904 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL27439894 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1195618 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL29555335 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL434375 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Cyanide SCHEMBL10708700 0.90 CYP3A4 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL5241027 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E

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 TDP1 3761/4885CYP3A4 1449/4885ESR1 1108/4885

“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.

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