SCHEMBL3085575

SCHEMBL3085575

Cc1ccc(CO)cc1OCCO[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
BCHE P06276 5/20 0.34
ACHE P22303 5/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTR1A P08908 1/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 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
SCHEMBL3082727 0.86 SMN1; SMN2 (0.35) TSHRSMN1; SMN2HTTSLC22A12BCHE
SCHEMBL925681 0.84 SLC6A4 (0.40) TSHRSMN1; SMN2HTTPOLBNPC1
SCHEMBL17129606 0.79 TSHR (0.41) TSHRSMN1; SMN2SLC22A12POLBNPC1
SCHEMBL26048878 0.78 TSHR (0.44) TSHRSMN1; SMN2HTTSLC22A12POLB
SCHEMBL3069542 0.76 L3MBTL1 (0.40) TSHRBCHEACHEPOLBRAB9A
SCHEMBL3080203 0.74 TSHR (0.44) TSHRSMN1; SMN2HTTSLC22A12POLB
SCHEMBL2356192 0.73 HTT (0.48) TSHRHTTSLC22A12BCHEACHE
SCHEMBL10088549 0.72 CSNK2A1 (0.41) SLC22A12POLBNPC1RAB9ALMNA
SCHEMBL924818 0.70 SLC6A4 (0.39) HTR1ATTR
SCHEMBL334082 0.70 SLC22A12 (0.40) TSHRSMN1; SMN2HTTSLC22A12ACHE

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
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885SMN1; SMN2 4291/4885HTT 4130/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885SMN1; SMN2 4291/4885HTT 4130/4885

“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.