SCHEMBL13169377

SCHEMBL13169377

c1ccc([SiH2]c2cccc([SiH2]c3ccccc3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL52125 0.87 TSHR (0.44) ACHETSHRLMNAALOX12MAPT
SCHEMBL28278745 0.87 TSHR (0.44) ACHETSHRLMNAALOX12MAPT
SCHEMBL26864158 0.86 MAOA (0.48) LMNAALOX12MAPTALDH1A1HPGD
SCHEMBL9317664 0.84 ACHE (0.52) ACHETSHRLMNAALOX12MAPT
Hydrochloric Acid SCHEMBL15122374 0.83 TSHR (0.41) ACHETSHRLMNAALOX12MAPT
Ammonia Solution, Strong SCHEMBL11868999 0.83 TSHR (0.41) ACHETSHRLMNAALOX12MAPT
Hydrochloric Acid SCHEMBL312008 0.83 TSHR (0.41) ACHETSHRLMNAALOX12MAPT
SCHEMBL2793388 0.83 TSHR (0.41) ACHETSHRLMNAALOX12MAPT
Water SCHEMBL6913191 0.83 TSHR (0.41) ACHETSHRLMNAALOX12MAPT
SCHEMBL3133054 0.83 TSHR (0.41) ACHETSHRLMNAALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 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 (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-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound EPX, TAS2R41, TAS1R1 ACHE 2587/4885TSHR 605/4885LMNA 4381/4885

“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.