SCHEMBL10320876

SCHEMBL10320876

CCCCc1ccc([Si](C2=C(C)C(C)=CC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
PSMB5 P28074 1/20 0.35
CNR2 P34972 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
HTR2A P28223 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
RARB P10826 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL10320819 1.00 HSD11B1 (0.43) HSD11B1ALDH1A1HPGDHSD17B10TRPV1
SCHEMBL10320163 0.94 HSD11B1 (0.37) HSD11B1ALDH1A1HPGDHSD17B10HTR2A
SCHEMBL10319348 0.88 HSD11B1 (0.42) HSD11B1ALDH1A1HPGDHSD17B10TRPV1
SCHEMBL10319956 0.82
Hydrochloric Acid SCHEMBL10320216 0.80 NISCH (0.37) HSD11B1ALDH1A1HPGDHSD17B10HTR2A
Hydrochloric Acid SCHEMBL10319713 0.80 NISCH (0.37) HSD11B1ALDH1A1HPGDHSD17B10HTR2A
SCHEMBL10319546 0.79 LMNA (0.33) HPGD
SCHEMBL10320517 0.78 HSD11B1 (0.43) HSD11B1ALDH1A1HPGDHSD17B10TRPV1
SCHEMBL10320661 0.78 HSD11B1 (0.43) HSD11B1ALDH1A1HPGDHSD17B10TRPV1
Hydrochloric Acid SCHEMBL10320158 0.77 HSD11B1 (0.42) HSD11B1ALDH1A1HPGDHSD17B10TRPV1

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-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
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 HSD11B1 415/4885ALDH1A1 1321/4885HPGD 1006/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 HSD11B1 751/4885ALDH1A1 2292/4885HPGD 2180/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 HSD11B1 477/4885ALDH1A1 2399/4885HPGD 1490/4885
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 HSD11B1 377/4885ALDH1A1 2139/4885HPGD 778/4885

“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.