SCHEMBL1734832

SCHEMBL1734832

c1cc(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)ccc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
CXCR3 P49682 4/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRK1 P41145 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL289717 0.90 OPRK1 (0.42) HPGDP2RX7ALDH1A1MEN1KMT2A
SCHEMBL5738047 0.88 OPRK1 (0.41) HPGDP2RX7ALDH1A1MEN1KMT2A
Bromide SCHEMBL1478373 0.88 OPRK1 (0.41) HPGDP2RX7ALDH1A1MEN1KMT2A
SCHEMBL2011475 0.88 HPGD (0.39) HPGDP2RX7ALDH1A1MEN1KMT2A
SCHEMBL2018311 0.86 MGAM (0.31) HPGDCXCR3P2RX7ALDH1A1CYP17A1
SCHEMBL2015150 0.86 MEN1 (0.40) CXCR3P2RX7CYP17A1CYP19A1MEN1
SCHEMBL2015640 0.82 ALDH1A1 (0.39) HPGDP2RX7ALDH1A1CYP17A1CYP19A1
SCHEMBL3676522 0.80 P2RX7 (0.33) HPGDCXCR3P2RX7ALDH1A1SMN1; SMN2
SCHEMBL5078719 0.80
SCHEMBL1734830 0.79 P2RX7 (0.39) HPGDP2RX7ALDH1A1MEN1KMT2A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP 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-1931471-B1 CONTINUOUS CARBONYLATION PROCESS LUCITE INT UK LTD (GB) 2014-10-01 EP 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
EP-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 EP claimed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US claimed
US-20090216041-A1 Catalyst System LUCITE INTERNATIONAL UK LIMITED (GB) 2009-08-27 US claimed
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2008-02-28 US claimed
EP-2243549-B1 A CATALYST SYSTEM LUCITE INT UK LTD (GB) 2020-09-02 EP disclosed
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP disclosed
EP-2513031-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2018-08-22 EP disclosed
US-9802185-B2 Catalyst system LUCITE INTERNATIONAL UK LIMITED (GB) 2017-10-31 US disclosed
US-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US disclosed
US-20090216041-A1 Catalyst System LUCITE INTERNATIONAL UK LIMITED (GB) 2009-08-27 US disclosed
US-7371705-B2 Phospha-adamantane(s) catalytic system LUCITE INTERNATIONAL UK LIMITED (GB) 2008-05-13 US disclosed
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2008-02-28 US disclosed
US-20070282124-A1 Catalyst System LUCENT INTERNATIONAL UK LIMITED (GB) 2007-12-06 US disclosed
US-20060106259-A1 Phospha-adamantane(s) catalytic system LUCITE INTERNATIONAL UK LIMITED (GB) 2006-05-18 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 (6 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-20060106259-A1 Phospha-adamantane(s) catalytic system ADORA2A, ADORA3, ADGRE5 HPGD 1939/4885CXCR3 2007/4885P2RX7 1449/4885
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK HPGD 3290/4885CXCR3 3659/4885P2RX7 4835/4885
US-20090216041-A1 Catalyst System CBS, SMS, POF1B HPGD 2082/4885CXCR3 4492/4885P2RX7 4126/4885
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds ETV6, DHPS, ELOVL6 HPGD 129/4885CXCR3 1873/4885P2RX7 3871/4885
US-20070282124-A1 Catalyst System SMS, COASY, ABCB7 HPGD 2397/4885CXCR3 2835/4885P2RX7 1265/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 HPGD 3433/4885CXCR3 393/4885P2RX7 237/4885

“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.