SCHEMBL2994800

SCHEMBL2994800

CC(C)(C)C(P)(c1ccc(-c2ccccc2)cc1C(P)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
ESR2 Q92731 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
ESR1 P03372 2/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL3008366 0.90 AR (0.32) PGR
SCHEMBL3228462 0.80 BACE1 (0.38) ALOX5ALDH1A1ESR2MEN1MAPT
SCHEMBL29624141 0.76 ALDH1A1 (0.40) ALDH1A1KIF11
SCHEMBL34188 0.76 ALDH1A1 (0.40) ALDH1A1KIF11
SCHEMBL27780027 0.75 KIF11 (0.48) ALDH1A1ESR2MAPTESR1HSD17B10
SCHEMBL27991629 0.75 RXRA (0.42) ALOX5ALDH1A1RXRARXRBESR2
SCHEMBL3007873 0.74 ESR1 (0.46) ALDH1A1ESR2MEN1KMT2AESR1
SCHEMBL5928467 0.73 NQO2 (0.37) ALDH1A1HPGDALOX12HSD17B10
SCHEMBL4449613 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25474285 0.72 MAOA (0.40) ALOX5ALDH1A1RXRARXRBESR2

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 ALOX5 1/4885ALDH1A1 1228/4885RXRA 983/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 ALOX5 3585/4885ALDH1A1 3926/4885RXRA 3904/4885
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS PRDX1, PRDX4, PRDX2 ALOX5 987/4885ALDH1A1 865/4885RXRA 56/4885

“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.