SCHEMBL17790072

SCHEMBL17790072

CCOC(=O)CCN(CCC[Si](C)(OCC)OCC)CCC[Si](C)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
DRD2 P14416 1/20 0.33
APOBEC3A P31941 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
SCHEMBL19125603 0.87 TSHR (0.37) ALDH1A1TSHRLTA4H
SCHEMBL17790086 0.87 DGKA (0.35) LTA4H
SCHEMBL31601919 0.86 CA12 (0.41) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL29527403 0.86 CYP1A2 (0.41) CYP1A2RAB9AL3MBTL1ALDH1A1TRPA1
SCHEMBL18334313 0.86 CYP1A2 (0.41) CYP1A2RAB9AL3MBTL1ALDH1A1TRPA1
SCHEMBL19405693 0.84 KDM5A (0.44) TSHR
SCHEMBL11905458 0.82 MEN1 (0.39) L3MBTL1ALDH1A1GAATSHRAPOBEC3A
SCHEMBL13756007 0.81 CYP1A2 (0.52) CYP1A2RAB9AL3MBTL1ALDH1A1TRPA1
SCHEMBL3595183 0.81
SCHEMBL12880038 0.81 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225635-B1 MODIFIED BUTADIENE POLYMER AND MODIFYING AGENT USEFUL IN PRODUCTION OF SAME LG CHEMICAL LTD (KR) 2019-09-04 EP claimed
US-10184012-B2 Modified butadiene-based polymer and modifier useful for preparing the same LG CHEM, LTD. (KR) 2019-01-22 US claimed
US-10174133-B2 Modified styrene-butadiene copolymer, preparation method thereof, and rubber composition including the same LG CHEM, LTD. (KR) 2019-01-08 US claimed
EP-3225636-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, METHOD FOR PREPARING SAME, AND RUBBER COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2017-10-04 EP claimed
EP-3225635-A1 MODIFIED BUTADIENE POLYMER AND MODIFYING AGENT USEFUL IN PRODUCTION OF SAME LG Chem, Ltd. (KR) 2017-10-04 EP claimed
US-20170275390-A1 MODIFIED BUTADIENE-BASED POLYMER AND MODIFIER USEFUL FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2017-09-28 US claimed
US-20170204205-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, PREPARATION METHOD THEREOF, AND RUBBER COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2017-07-20 US claimed
EP-3225635-B1 MODIFIED BUTADIENE POLYMER AND MODIFYING AGENT USEFUL IN PRODUCTION OF SAME LG CHEMICAL LTD (KR) 2019-09-04 EP disclosed
US-10184012-B2 Modified butadiene-based polymer and modifier useful for preparing the same LG CHEM, LTD. (KR) 2019-01-22 US disclosed
US-10184012-B2 Modified butadiene-based polymer and modifier useful for preparing the same LG CHEM, LTD. (KR) 2019-01-22 US disclosed
US-10174133-B2 Modified styrene-butadiene copolymer, preparation method thereof, and rubber composition including the same LG CHEM, LTD. (KR) 2019-01-08 US disclosed
US-10174133-B2 Modified styrene-butadiene copolymer, preparation method thereof, and rubber composition including the same LG CHEM, LTD. (KR) 2019-01-08 US disclosed
EP-3103817-B1 AMINOSILANE TERMINAL MODIFIER TO WHICH FUNCTIONAL GROUP HAS BEEN INTRODUCED, METHOD FOR PRODUCING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER USING THE AMINOSILANE TERMINAL MODIFIER, AND TERMINAL-MODIFIED CONJUGATED DIENE POLYMER PRODUCED ACCORDING TO THE METHOD LG CHEMICAL LTD (KR) 2018-04-18 EP disclosed
US-20170275390-A1 MODIFIED BUTADIENE-BASED POLYMER AND MODIFIER USEFUL FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2017-09-28 US disclosed
US-20170204205-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, PREPARATION METHOD THEREOF, AND RUBBER COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2017-07-20 US disclosed
US-20170204205-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, PREPARATION METHOD THEREOF, AND RUBBER COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2017-07-20 US disclosed
US-20170204205-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, PREPARATION METHOD THEREOF, AND RUBBER COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2017-07-20 US disclosed
US-20170022297-A1 AMINOSILANE TERMINAL MODIFIER TO WHICH FUNCTIONAL GROUP HAS BEEN INTRODUCED, METHOD FOR PRODUCING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER USING THE AMINOSILANE TERMINAL MODIFIER, AND TERMINAL-MODIFIED CONJUGATED DIENE POLYMER LG CHEM, LTD. (KR) 2017-01-26 US disclosed
EP-3103817-A1 AMINOSILANE TERMINAL MODIFIER TO WHICH FUNCTIONAL GROUP HAS BEEN INTRODUCED, METHOD FOR PRODUCING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER USING THE AMINOSILANE TERMINAL MODIFIER, AND TERMINAL-MODIFIED CONJUGATED DIENE POLYMER PRODUCED ACCORDING TO THE METHOD LG Chem, Ltd. (KR) 2016-12-14 EP disclosed
WO-2016085285-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, METHOD FOR PREPARING SAME, AND RUBBER COMPOSITION COMPRISING SAME 주식회사 엘지화학 2016-06-02 WO 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 (5 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-20170204205-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, PREPARATION METHOD THEREOF, AND RUBBER COMPOSITION INCLUDING THE SAME TRRAP, PRUNE1, IRAK1 CYP1A2 123/4885RAB9A 3176/4885L3MBTL1 4515/4885
US-10174133-B2 Modified styrene-butadiene copolymer, preparation method thereof, and rubber composition including the same TRRAP, PRUNE1, IRAK1 CYP1A2 123/4885RAB9A 3176/4885L3MBTL1 4515/4885
US-10184012-B2 Modified butadiene-based polymer and modifier useful for preparing the same BICRA, SMCHD1, PHB1 CYP1A2 2293/4885RAB9A 3172/4885L3MBTL1 4126/4885
US-20170022297-A1 AMINOSILANE TERMINAL MODIFIER TO WHICH FUNCTIONAL GROUP HAS BEEN INTRODUCED, METHOD FOR PRODUCING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER USING THE AMINOSILANE TERMINAL MODIFIER, AND TERMINAL-MODIFIED CONJUGATED DIENE POLYMER MSN, SUMO2, SUMO1 CYP1A2 4252/4885RAB9A 3905/4885L3MBTL1 3215/4885
US-20170275390-A1 MODIFIED BUTADIENE-BASED POLYMER AND MODIFIER USEFUL FOR PREPARING THE SAME BICRA, SMCHD1, PHB1 CYP1A2 2293/4885RAB9A 3172/4885L3MBTL1 4126/4885

“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.