SCHEMBL2992697

SCHEMBL2992697

CC(C)(C)c1cc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)cc1-c1cc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
GLRA3 O75311 1/20 0.30
GLRB P48167 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 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
SCHEMBL2991528 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL3004822 0.73 KIF11 (0.39) ALDH1A1SMN1; SMN2KDM4EALOX15TYR
SCHEMBL3228462 0.71 BACE1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL2997348 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP1A2MAPTALOX15
SCHEMBL3008366 0.67 AR (0.32) CA2CA1
SCHEMBL5928467 0.67 NQO2 (0.37) ALDH1A1CYP1A2CA2CA1
SCHEMBL7132801 0.66 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL5051888 0.64 CYP2C9 (0.41) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL3006249 0.62
SCHEMBL2997686 0.61 ACHE (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809611-B2 Carbonylation ligands and their use in the carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2017-11-07 US claimed
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 ALDH1A1 1228/4885SMN1; SMN2 3810/4885KDM4E 960/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 ALDH1A1 3926/4885SMN1; SMN2 2999/4885KDM4E 3611/4885
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS PRDX1, PRDX4, PRDX2 ALDH1A1 865/4885SMN1; SMN2 2185/4885KDM4E 705/4885

“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.