SCHEMBL828392

SCHEMBL828392

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
EPHX1 P07099 5/20 0.38
ADH1B P00325 2/20 0.38
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 2/20 0.38
ADH7 P40394 2/20 0.38
FAAH O00519 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
KMT2A Q03164 1/20 0.32
TOP1 P11387 2/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31

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
SCHEMBL828129 0.98 TSHR (0.37) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL828184 0.91 TSHR (0.36) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL11905930 0.80 TSHR (0.39) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL11905229 0.80 TSHR (0.39) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL11905504 0.80 TSHR (0.39) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL7907072 0.76 TSHR (0.40) TSHRTHRBLMNAMEN1KMT2A
SCHEMBL4959288 0.72 TSHR (0.47) TSHREPHX1THRBLMNAMEN1
SCHEMBL11024773 0.72 TSHR (0.47) TSHREPHX1THRBLMNAMEN1
SCHEMBL9859881 0.72 TSHR (0.47) TSHREPHX1THRBLMNAMEN1
SCHEMBL7036618 0.72 TSHR (0.47) TSHREPHX1THRBLMNAMEN1

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 4344/4885EPHX1 2507/4885ADH1B 2438/4885

“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.