SCHEMBL2144271

SCHEMBL2144271

C=CC(=O)NC(CC)C[SiH](Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
ACACB O00763 2/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5170699 0.82 TSHR (0.56) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL8768878 0.79 TSHR (0.41) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL25250018 0.79 TSHR (0.52) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL114686 0.78 TSHR (0.40) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL21909974 0.77 TSHR (0.50) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL2938364 0.77 TSHR (0.50) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL6566575 0.76 TAS1R3 (0.50) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL9225320 0.76 TSHR (0.48) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
Phosphonic Acid SCHEMBL27593948 0.76 TSHR (0.48) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL20892790 0.74 TSHR (0.47) TSHRLMNAHPGDSMN1; SMN2ALDH1A1

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
EP-1985645-B1 Low molecular weight siloxanes with one functional group GELEST INC (US) 2017-03-15 EP disclosed
US-8455599-B2 Asymmetric low molecular weight siloxanes with one functional group GELEST TECHNOLOGIES, INC. (US) 2013-06-04 US disclosed
EP-2345686-A2 Low molecular weight siloxanes with one functional group GELEST, INC. (US) 2011-07-20 EP disclosed
US-20100298591-A1 ASYMMETRIC LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP GELEST, INC. (US) 2010-11-25 US disclosed
US-7799888-B2 Low molecular weight siloxanes with one functional group GELEST, INC. (US) 2010-09-21 US disclosed
US-20080269429-A1 LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP GELEST, INC. (US) 2008-10-30 US disclosed
EP-1985645-A2 Low molecular weight siloxanes with one functional group GELEST, INC. (US) 2008-10-29 EP 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-20100298591-A1 ASYMMETRIC LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP ILK, LASP1, PCNA TSHR 3911/4885LMNA 2367/4885HPGD 3532/4885

“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.