SCHEMBL3008366

SCHEMBL3008366

CC(C)(C)C(P)(c1ccc(-c2ccc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)c2)cc1C(P)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PGR P06401 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
SCHEMBL2994800 0.90 ALOX5 (0.36) PGR
SCHEMBL2997348 0.77 ALDH1A1 (0.40) CA1CA2
SCHEMBL3006249 0.76
SCHEMBL2997686 0.74 ACHE (0.33)
SCHEMBL34188 0.74 ALDH1A1 (0.40) CA2
SCHEMBL3004822 0.73 KIF11 (0.39)
SCHEMBL2991528 0.72 ALDH1A1 (0.38) CA1CA2
SCHEMBL5928467 0.71 NQO2 (0.37) CA1CA2
SCHEMBL3009373 0.71 NR1H2 (0.37)
SCHEMBL3228462 0.71 BACE1 (0.38)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2010-05-06 US claimed
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP disclosed
US-9809611-B2 Carbonylation ligands and their use in the carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2017-11-07 US disclosed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US disclosed
US-20120309613-A1 CARBONYLATION PROCESS LUCITE INTERNATIONAL UK LIMITED (GB) 2012-12-06 US disclosed
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-05 US disclosed
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2010-05-06 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US 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 (3 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-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 AR 2157/4885CA1 1456/4885CA2 401/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 AR 4153/4885CA1 406/4885CA2 92/4885
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS PRDX1, PRDX4, PRDX2 AR 3068/4885CA1 1612/4885CA2 915/4885

“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.