SCHEMBL3838680

SCHEMBL3838680

ClP(Cl)c1ccccc1.[Ru]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 1/20 0.50
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
TSHR P16473 6/20 0.37
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.32
BBOX1 O75936 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
LMNA P02545 2/20 0.32
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.31
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 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
SCHEMBL28067265 0.97 TDP1 (0.53) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL246946 0.97
SCHEMBL29126140 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL27914446 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL28208589 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
Phosphine SCHEMBL28842294 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL28000859 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
Hydrochloric Acid SCHEMBL22230523 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL21518321 0.93 TDP1 (0.50) TDP1CYP3A4ESR1ESR2TSHR
Hydrochloric Acid SCHEMBL28208592 0.90 CYP3A4 (0.47) TDP1CYP3A4ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574989-B Polymer purification method and polymer MITSUI CHEMICALS INC 2014-03-26 CN disclosed
CN-102574989-A Polymer purification method and polymer MITSUI CHEMICALS INC 2012-07-11 CN disclosed
CN-101291944-B Process for producing organic transition metal complex compound, metathesis catalyst produced by the process, metathesis polymer formed by ring opening polymerization with the same, and process for pr MITSU CHEMICALS INC 2012-07-04 CN disclosed
CN-101490126-B Ring-opening metathesis polymer, hydrogenated product thereof, process for producing the same, and use thereof MITSUI CHEMICALS INC 2011-09-14 CN disclosed
EP-1538173-B1 Hydrogenated ring-opening metathesis polymer and process for producing the same MITSUI CHEMICALS INC (JP) 2009-11-04 EP disclosed
CN-101490126-A Ring-opening metathesis polymer, hydrogenated product thereof, process for producing the same, and use thereof MITSUI CHEMICALS INC (JP) 2009-07-22 CN disclosed
US-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER MITSUI CHEMICALS, INC. (JP) 2009-05-14 US disclosed
CN-101291944-A Process for producing organic transition metal complex compound, metathesis catalyst produced by the process, metathesis polymer formed by ring opening polymerization with the same, and process for pr MITSUI CHEMICALS INC (JP) 2008-10-22 CN disclosed
EP-1950216-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY THE PROCESS, METATHESIS POLYMER FORMED BY RING OPENING POLYMERIZATION WITH THE SAME, AND PROCESS FOR PRODUCING POLYMER WITH THE SAME Mitsui Chemicals, Inc. (JP) 2008-07-30 EP disclosed
CN-1249119-C Hydrogenated ring-opening metathesis copolymer and process for producing the same MITSUI CHEMICALS INC (JP) 2006-04-05 CN disclosed
CN-1233685-C Fluorinated cycloolefin polymer, cycloolefin monomer thereof, preparation method of polymer and application of polymer MITSUI CHEMICALS INC (JP) 2005-12-28 CN disclosed
CN-1462286-A Fluorinated cycloolefin polymers, its cycloolefin monomers processes for preparation of polymers thereof and use of the same MITSUI CHEMICALS INC (JP) 2003-12-17 CN disclosed
CN-1380888-A Hydrogenated ring-opening metathesis polymer and process for producing the same MITSUI CHEMICALS INC (JP) 2002-11-20 CN 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-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER PORCN, ICMT, ME1 TDP1 4360/4885CYP3A4 672/4885ESR1 2297/4885

“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.