SCHEMBL3002009

SCHEMBL3002009

[Rh]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
CYP3A4 P08684 1/20 0.80
ESR1 P03372 4/20 0.57
ESR2 Q92731 4/20 0.57
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
DRD1 P21728 2/20 0.33
ALOX12 P18054 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 3/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 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
Iodide SCHEMBL525225 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL165638 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL28668485 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL525223 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL3313118 0.93 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL10603415 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL11614722 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL809368 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Methane SCHEMBL7931585 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL11498883 0.90 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076521-B1 SYNTHESIS OF SILYLSUBSTITUTED 1,2-ALKYNES UNIV ADAM MICKIEWICZ (PL) 2012-12-26 EP claimed
US-20090318726-A1 NEW SILYLSUBSTITUTED 1,2-ALKYNES AND SYNTHESIS OF SILYLSUBSTITUTED 1,2-ALKYNES ADAM MICKIEWICZ UNIVERSITY (PL) 2009-12-24 US claimed
EP-2076521-A1 NEW SILYLSUBSTITUTED 1,2-ALKYNES AND SYNTHESIS OF SILYLSUBSTITUTED 1,2-AIKYNES Adam Mickiewicz University (PL) 2009-07-08 EP claimed
WO-2008020774-A1 NEW SILYLSUBSTITUTED 1,2-ALKYNES AND SYNTHESIS OF SILYLSUBSTITUTED 1,2-AIKYNES ADAM MICKIEWICZ UNIVERSITY (PL) 2008-02-21 WO claimed
EP-2076521-B1 SYNTHESIS OF SILYLSUBSTITUTED 1,2-ALKYNES UNIV ADAM MICKIEWICZ (PL) 2012-12-26 EP disclosed
US-8293938-B2 Alkylphosphonous acids, salts and esters, methods for the production thereof, and use of the same CLARIANT FINANCE (BVI) LIMITED (VG) 2012-10-23 US disclosed
US-20100190901-A1 Alkylphosphonous Acids, Salts and Esters, Methods for the Production Thereof, and Use of the Same CLARIANT FINANCE (BVI) LIMITED (VG) 2010-07-29 US disclosed
US-20090318726-A1 NEW SILYLSUBSTITUTED 1,2-ALKYNES AND SYNTHESIS OF SILYLSUBSTITUTED 1,2-ALKYNES ADAM MICKIEWICZ UNIVERSITY (PL) 2009-12-24 US disclosed
EP-2076521-A1 NEW SILYLSUBSTITUTED 1,2-ALKYNES AND SYNTHESIS OF SILYLSUBSTITUTED 1,2-AIKYNES Adam Mickiewicz University (PL) 2009-07-08 EP disclosed
EP-1369422-B1 PROCESS FOR PREPARATION OF ALKENYLPHOSPHINE OXIDES OR ALKENYLPHOSPHINIC ACID ESTERS JAPAN SCIENCE & TECH AGENCY (JP) 2008-07-23 EP disclosed
WO-2008020774-A1 NEW SILYLSUBSTITUTED 1,2-ALKYNES AND SYNTHESIS OF SILYLSUBSTITUTED 1,2-AIKYNES ADAM MICKIEWICZ UNIVERSITY (PL) 2008-02-21 WO disclosed
US-7135583-B2 Process for preparation of alkenylphosphine oxides or alkenylphosphinic esters JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2006-11-14 US disclosed
US-20040059146-A1 Process for preparation of alkenylphosphine oxides or alkenylphosphinic esters JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-03-25 US disclosed
EP-1369422-A1 PROCESS FOR PREPARATION OF ALKENYLPHOSPHINE OXIDES OR ALKENYLPHOSPHINIC ACID ESTERS Japan Science and Technology Corporation (JP) 2003-12-10 EP 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 (1 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-20040059146-A1 Process for preparation of alkenylphosphine oxides or alkenylphosphinic esters PHOSPHO1, AGPS, AGPAT5 TDP1 3773/4885CYP3A4 1357/4885ESR1 3581/4885

“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.