SCHEMBL4181102

SCHEMBL4181102

CCOC(=O)CCSCC[Si](OC)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 5/20 0.38
GAA P10253 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.35
GLA P06280 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
SCHEMBL800903 0.84 ALDH1A1 (0.33) TSHRALDH1A1LMNAHTTPOLB
SCHEMBL111821 0.83 GAA (0.52) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL960158 0.81 CYP1A2 (0.47) TSHRALDH1A1LMNACYP1A2GAA
SCHEMBL27628460 0.78 CYP1A2 (0.53) TSHRALDH1A1CYP1A2KDM4ETDP1
SCHEMBL10178872 0.78 DGKA (0.38) TSHRMAPT
SCHEMBL15360326 0.77 CYP1A2 (0.47) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL10973191 0.76 CYP1A2 (0.45) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL5016265 0.76 LMNA (0.58) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL13901847 0.76 TDP1 (0.48) TSHRALDH1A1LMNAHTTCYP1A2
SCHEMBL8506009 0.75 CYP1A2 (0.48) TSHRALDH1A1LMNAHTTCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982095-B2 Substituted organopolysiloxanes and use thereof PHOSPHONICS LTD (GB) 2018-05-29 US disclosed
US-20090098082-A1 substiuted organopolysiloxanes and use thereof PHOSPHONICS LTD (GB) 2009-04-16 US disclosed
EP-1786850-B1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD (GB) 2008-11-26 EP disclosed
EP-1786850-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF Phosphonics LTD (GB) 2007-05-23 EP disclosed
WO-2006013060-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD (GB) 2006-02-09 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 (1 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-20090098082-A1 substiuted organopolysiloxanes and use thereof OR10J3, SOST, ITGB3 TSHR 425/4885ALDH1A1 1409/4885LMNA 2360/4885

“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.