SCHEMBL3074822

SCHEMBL3074822

CC(C)[Si](OCCCCN1C(=O)COc2ccc(CO)cc21)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
REN P00797 1/20 0.41
KMO O15229 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL3072039 0.93 POLB (0.42) POLBTP53TSHRHSD17B10KMO
SCHEMBL3080202 0.90 POLB (0.43) POLBTP53TSHRHSD17B10REN
SCHEMBL3082174 0.82 KMO (0.42) POLBTP53TSHRHSD17B10KMO
SCHEMBL2339596 0.82 TSHR (0.56) POLBTP53TSHRRENKMO
SCHEMBL3068129 0.75 CYP3A4 (0.39) POLBTP53TSHRHSD17B10CYP1A2
SCHEMBL554626 0.75 PDE3B (0.48) POLBTP53TSHRKMOCYP1A2
SCHEMBL927855 0.71 REN (0.55) POLBTP53TSHRRENKMO
SCHEMBL27621244 0.71 KMT2A (0.62) POLBTSHRHSD17B10CYP1A2CYP2C19
SCHEMBL1015445 0.70 TSHR (0.56) POLBTP53TSHRRENKMO
SCHEMBL10272401 0.70 POLB (0.52) POLBTP53TSHRRENKMO

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 POLB 1031/4885TP53 3631/4885TSHR 3211/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 POLB 1031/4885TP53 3631/4885TSHR 3211/4885

“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.