SCHEMBL10318779

SCHEMBL10318779

Cl[Si](Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
CALM1 P0DP23 1/20 0.39
IDO1 P14902 3/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL22689574 0.80 CALM1 (0.39) CYP19A1CALM1IDO1NR1H2NR1H3
SCHEMBL28680049 0.76 POLB (0.34) CYP19A1NR1H2NR1H3TSHRALDH1A1
SCHEMBL4682428 0.76 NR1H2 (0.40) CYP19A1CALM1IDO1NR1H2NR1H3
SCHEMBL702666 0.76 TSHR (0.35) CYP19A1CALM1IDO1TSHRALDH1A1
SCHEMBL703091 0.76 TSHR (0.33) CYP19A1CALM1IDO1TSHRALDH1A1
SCHEMBL242725 0.76 CALM1 (0.45) CYP19A1CALM1IDO1NR1H2NR1H3
SCHEMBL820045 0.76 CALM1 (0.45) CYP19A1CALM1IDO1TSHRALDH1A1
SCHEMBL1550020 0.76 CALM1 (0.45) CYP19A1CALM1IDO1TSHRALDH1A1
SCHEMBL4074098 0.74 KMT2A (0.32) CYP19A1CALM1TSHRALDH1A1TRPA1
SCHEMBL987145 0.74 CALM1 (0.43) CALM1IDO1NR1H2NR1H3TSHR

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 10 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
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
WO-2012133936-A1 CATALYST FOR PRODUCING ETHYLENE-BASED POLYMER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133919-A1 PROCESS FOR PRODUCING CATALYST FOR PRODUCING ETHYLENIC POLYMER, CATALYST FOR PRODUCING ETHYLENIC POLYMER AND PROCESS FOR PRODUCING ETHYLENIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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 CYP19A1 285/4885CALM1 910/4885IDO1 1185/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 CYP19A1 482/4885CALM1 952/4885IDO1 2333/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 CYP19A1 105/4885CALM1 1661/4885IDO1 1530/4885
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 CYP19A1 135/4885CALM1 1323/4885IDO1 2122/4885

“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.