SCHEMBL2995855

SCHEMBL2995855

CC(C)(c1ccccc1)c1cc(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1C(C)(C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRK1 P41145 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
ESR2 Q92731 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL2031601 0.94
SCHEMBL16525166 0.89 CYP17A1 (0.31) CYP17A1CYP19A1ALDH1A1
SCHEMBL3826384 0.88
SCHEMBL16524403 0.87
SCHEMBL2145911 0.87 KDM4E (0.31) ALDH1A1
SCHEMBL2015647 0.86 ESR1 (0.35) CYP17A1CYP19A1MEN1KMT2AOPRK1
SCHEMBL16524795 0.86
SCHEMBL3685854 0.85 HPGD (0.32) CYP17A1CYP19A1
SCHEMBL16524619 0.85 CYP17A1 (0.39) CYP17A1CYP19A1MEN1KMT2A
SCHEMBL16524630 0.85 TACR1 (0.30)

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 24 patents — showing the first 20. 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-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US claimed
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2015-04-09 US claimed
EP-2007703-B1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INT UK LTD (GB) 2013-12-18 EP claimed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US claimed
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 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
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US claimed
EP-2097429-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2009-09-09 EP claimed
WO-2008065448-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-05 WO 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-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US disclosed
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2015-04-09 US disclosed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US disclosed
EP-2094635-A1 CARBONYLATION OF CONJUGATED DIENES Lucite International UK Limited (GB) 2009-09-02 EP disclosed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP disclosed
WO-2008075108-A1 CARBONYLATION OF CONJUGATED DIENES LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-26 WO disclosed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO 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 (4 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-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK CYP17A1 770/4885CYP19A1 489/4885MEN1 3844/4885
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 CYP17A1 426/4885CYP19A1 238/4885MEN1 2169/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 CYP17A1 4437/4885CYP19A1 4379/4885MEN1 36/4885
US-20100113255-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS PRDX1, PRDX4, PRDX2 CYP17A1 2243/4885CYP19A1 896/4885MEN1 3383/4885

“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.