SCHEMBL828391

SCHEMBL828391

CCCCCC[Si](CCCCCC)(CCCCCC)O[C]=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
EPHX1 P07099 6/20 0.33
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30
LPAR2 Q9HBW0 1/20 0.30
NAAA Q02083 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
SCHEMBL828128 0.98 TSHR (0.32) TSHRTHRBEPHX1
SCHEMBL828183 0.91
SCHEMBL828053 0.80
SCHEMBL11905925 0.80 TSHR (0.35) TSHRTHRBEPHX1CES2CES1
SCHEMBL11905226 0.80 TSHR (0.35) TSHRTHRBEPHX1CES2CES1
SCHEMBL11905501 0.80 TSHR (0.35) TSHRTHRBEPHX1CES2CES1
SCHEMBL8763972 0.77 TSHR (0.36) TSHRTHRBLMNA
SCHEMBL22325670 0.75 TSHR (0.31) TSHRTHRB
SCHEMBL11024773 0.72 TSHR (0.47) TSHRTHRBEPHX1LMNA
SCHEMBL9859881 0.72 TSHR (0.47) TSHRTHRBEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950216-B1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND MITSUI CHEMICALS INC (JP) 2018-08-29 EP disclosed
US-8211984-B2 Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof MITSUI CHEMICALS, INC. (JP) 2012-07-03 US disclosed
US-8143429-B2 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) 2012-03-27 US disclosed
US-20090215974-A1 RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-08-27 US 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
EP-2045280-A1 RING-OPENING METATHESIS POLYMERS, PRODUCTS OF HYDROGENATION THEREOF, PROCESS FOR PRODUCTION OF THE SAME AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2009-04-08 EP 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

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 TSHR 4344/4885THRB 4655/4885EPHX1 2507/4885

“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.