SCHEMBL19253313

SCHEMBL19253313

CC[Si](CC)(CC)OOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
IDO1 P14902 1/20 0.41
TP53 P04637 2/20 0.41
AGXT P21549 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 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
SCHEMBL18297917 0.78 TSHR (0.48) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL28128704 0.74 TSHR (0.48) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL177923 0.74 TSHR (0.67) TSHRIDO1TP53AGXTALDH1A1
Alcohol SCHEMBL5269265 0.73 TSHR (0.52) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL2435561 0.73 TSHR (0.52) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL11117973 0.72 TSHR (0.46) TSHRIDO1AGXTALDH1A1L3MBTL1
Phosphine SCHEMBL28182122 0.72 TSHR (0.46) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL28604988 0.72 TSHR (0.41) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL28045261 0.72 IDO1 (0.43) TSHRIDO1TP53AGXTALDH1A1
Water SCHEMBL28419682 0.71 TSHR (0.63) TSHRIDO1TP53AGXTALDH1A1

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-3419982-B1 NEW STABLE SILYLATING REAGENTS CALIFORNIA INST OF TECHN (US) 2023-11-15 EP disclosed
US-20210323983-A1 STABLE SILYLATING REAGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-10-21 US disclosed
US-11028107-B2 Stable silylating reagents CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-06-08 US disclosed
EP-3419982-A1 NEW STABLE SILYLATING REAGENTS California Institute of Technology (US) 2019-01-02 EP disclosed
CN-108699089-A Novel stable silylating agents 加州理工学院 2018-10-23 CN disclosed
WO-2017147110-A1 NEW STABLE SILYLATING REAGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 WO disclosed
US-20170240571-A1 STABLE SILYLATING REAGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-08-24 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 (3 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-20210323983-A1 STABLE SILYLATING REAGENTS KCNH3, KCNH2, KCNH1 TSHR 4861/4885IDO1 1651/4885TP53 3368/4885
US-11028107-B2 Stable silylating reagents OGDH, CD44, SOD1 TSHR 4878/4885IDO1 879/4885TP53 2718/4885
US-20170240571-A1 STABLE SILYLATING REAGENTS OGDH, CD44, SOD1 TSHR 4878/4885IDO1 879/4885TP53 2718/4885

“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.