SCHEMBL5590712

SCHEMBL5590712

Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Ni]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL11579793 1.00 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
SCHEMBL18425362 1.00 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
SCHEMBL15661400 0.97 ACHE (0.57) ACHETDP1CYP3A4GAAALDH1A1
SCHEMBL34181 0.97 ACHE (0.57) ACHETDP1CYP3A4GAAALDH1A1
Bromide SCHEMBL7200758 0.93 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
Hydrochloric Acid SCHEMBL14335450 0.93 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
SCHEMBL8849358 0.93 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
SCHEMBL5713304 0.93 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
Bromide SCHEMBL3676874 0.93 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1
Hydrochloric Acid SCHEMBL14335453 0.93 ACHE (0.53) ACHETDP1CYP3A4GAAALDH1A1

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 ACHE 3995/4885TDP1 3761/4885CYP3A4 1449/4885

“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.