SCHEMBL2997348

SCHEMBL2997348

CC(C)(C)c1ccc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
TYR P14679 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL30445598 1.00 ALDH1A1 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3006249 0.85
SCHEMBL27760411 0.79 CYP2C19 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3007873 0.79 ESR1 (0.46) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL30445151 0.78 KIF11 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3004822 0.78 KIF11 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3008366 0.77 AR (0.32) CA1CA2
SCHEMBL2991528 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL779415 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29630132 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1

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 1228/4885HPGD 167/4885ALOX15 59/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 ALDH1A1 3926/4885HPGD 3433/4885ALOX15 3795/4885
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS PRDX1, PRDX4, PRDX2 ALDH1A1 865/4885HPGD 3299/4885ALOX15 1296/4885

“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.