SCHEMBL10318784

SCHEMBL10318784

CC(C)(C)c1ccc([Si](Cl)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
KIF11 P52732 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL22229723 0.91 TSHR (0.48) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL10318823 0.85 NR1H2 (0.43) TSHRNR1H2NR1H3LMNATYR
SCHEMBL12817649 0.83 GABRA1 (0.37) TSHRNR1H2NR1H3KIF11L3MBTL1
SCHEMBL12817765 0.83 GABRA1 (0.37) TSHRNR1H2NR1H3KIF11L3MBTL1
SCHEMBL17998020 0.82 TSHR (0.44) TSHRNR1H2NR1H3LMNATYR
SCHEMBL15447646 0.82 TSHR (0.44) TSHRNR1H2NR1H3LMNATYR
SCHEMBL12818016 0.82 KIF11 (0.42) TSHRKIF11L3MBTL1ALDH1A1RAB9A
SCHEMBL12817793 0.82 KIF11 (0.42) TSHRKIF11L3MBTL1ALDH1A1RAB9A
SCHEMBL704206 0.81 ESR1 (0.40) TSHRNR1H2NR1H3LMNAALDH1A1
SCHEMBL12815517 0.79 ADRA2A (0.45) TSHRLMNATYRKIF11ALDH1A1

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
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
EP-2484685-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2012-08-08 EP disclosed
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 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 (4 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 TSHR 1183/4885NR1H2 2092/4885NR1H3 2037/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 TSHR 1786/4885NR1H2 2499/4885NR1H3 2271/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 TSHR 3015/4885NR1H2 1516/4885NR1H3 1133/4885
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 TSHR 2248/4885NR1H2 1461/4885NR1H3 973/4885

“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.