SCHEMBL10317201

SCHEMBL10317201

CC1=CCC([Si](c2ccccc2)(c2ccccc2)c2cccc(C)c2)=C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
ADORA1 P30542 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
SCHEMBL10320454 0.89
SCHEMBL10318308 0.89
SCHEMBL7052256 0.88
SCHEMBL10320390 0.85 LMNA (0.33) ACHETSHRNPC1HPGDRAB9A
SCHEMBL10317825 0.78
SCHEMBL2454956 0.77 ACHE (0.50) ACHENPSR1TSHRNPC1HPGD
SCHEMBL4546863 0.77 ACHE (0.50) ACHENPSR1TSHRNPC1HPGD
SCHEMBL2454749 0.77 ACHE (0.50) ACHENPSR1TSHRNPC1HPGD
SCHEMBL7052254 0.76 ACHE (0.34) ACHENPSR1TSHRNPC1HPGD
SCHEMBL29265257 0.75 ACHE (0.48) ACHENPSR1TSHRNPC1HPGD

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 ACHE 1223/4885NPSR1 3913/4885TSHR 1183/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 ACHE 1522/4885NPSR1 4142/4885TSHR 1786/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 ACHE 275/4885NPSR1 4044/4885TSHR 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 ACHE 962/4885NPSR1 4316/4885TSHR 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.