SCHEMBL10320945

SCHEMBL10320945

CCc1cccc([SiH2]C2=C(C)C=CC2C)c1CC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
TSHR P16473 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL10317987 0.77 GABRA1 (0.30) GABRA1GABRB2TAAR1
SCHEMBL10320230 0.75 GABRA1 (0.31) GABRA1GABRB2TAAR1
SCHEMBL10318686 0.74 TRPA1 (0.31)
SCHEMBL10317564 0.70 HSD11B1 (0.33)
SCHEMBL10319652 0.70 CEL (0.33)
SCHEMBL10319344 0.70 TAAR1 (0.33) GABRA1GABRB2TSHRTAAR1
SCHEMBL10319685 0.67 TAAR1 (0.33) GABRA1GABRB2TSHRTAAR1
SCHEMBL706449 0.66 GABRA1 (0.46) GABRA1GABRB2TAAR1
SCHEMBL9745359 0.66 GABRA1 (0.46) GABRA1GABRB2TAAR1
SCHEMBL21383327 0.66 GABRA1 (0.41) GABRA1GABRB2TAAR1

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 GABRA1 3678/4885GABRB2 4453/4885TSHR 1183/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 GABRA1 3610/4885GABRB2 4216/4885TSHR 1786/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 GABRA1 3694/4885GABRB2 4219/4885TSHR 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 GABRA1 3228/4885GABRB2 4236/4885TSHR 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.