SCHEMBL2994685

SCHEMBL2994685

CC(C)(c1ccc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)c1)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
SSTR4 P31391 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
SCHEMBL3680957 0.81 ALDH1A1 (0.41) CYP2D6SIGMAR1ALDH1A1CYP2A6SSTR4
SCHEMBL3007873 0.78 ESR1 (0.46) SLC6A2SLC6A4ALDH1A1ESR1ESR2
SCHEMBL3003485 0.73 CYP3A4 (0.42) CYP2D6ALDH1A1CYP2A6ESR1ESR2
SCHEMBL2997348 0.71 ALDH1A1 (0.40) NR1I2LMNACYP2D6ALDH1A1
SCHEMBL30445598 0.71 ALDH1A1 (0.40) NR1I2LMNACYP2D6ALDH1A1
SCHEMBL5928467 0.71 NQO2 (0.37) ALDH1A1CYP2A6
SCHEMBL34188 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL29624141 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3006249 0.70
SCHEMBL1736263 0.69 HSD17B10 (0.39) CYP2D6ALDH1A1CYP2A6

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 PTPRC 4751/4885NR1I2 1238/4885LMNA 1315/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 PTPRC 2495/4885NR1I2 2023/4885LMNA 2767/4885
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS PRDX1, PRDX4, PRDX2 PTPRC 1189/4885NR1I2 536/4885LMNA 766/4885

“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.