SCHEMBL10318823

SCHEMBL10318823

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
KIF11 P52732 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL10318784 0.85 TSHR (0.41) NR1H2NR1H3TSHRLMNATYR
SCHEMBL8040586 0.84 ESR1 (0.48) NR1H2NR1H3TSHRLMNAESR1
SCHEMBL197544 0.82 ESR1 (0.44) NR1H2NR1H3TSHRLMNAESR1
SCHEMBL17998020 0.80 TSHR (0.44) NR1H2NR1H3TSHRLMNATYR
SCHEMBL15447646 0.80 TSHR (0.44) NR1H2NR1H3TSHRLMNATYR
SCHEMBL10319247 0.78 ESR1 (0.43) NR1H2NR1H3ESR1ESR2MAPT
SCHEMBL10319202 0.78 TSHR (0.46) NR1H2NR1H3TSHRLMNATYR
SCHEMBL8382993 0.78 TSHR (0.46) NR1H2NR1H3TSHRLMNATYR
SCHEMBL23211688 0.77 ESR1 (0.41) NR1H2NR1H3TSHRLMNAESR1
SCHEMBL10319854 0.76 ACHE (0.46) NR1H2NR1H3TSHRLMNAESR1

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 NR1H2 2092/4885NR1H3 2037/4885TSHR 1183/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 NR1H2 2499/4885NR1H3 2271/4885TSHR 1786/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 NR1H2 1516/4885NR1H3 1133/4885TSHR 3015/4885
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 NR1H2 1461/4885NR1H3 973/4885TSHR 2248/4885

“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.