SCHEMBL3065833

SCHEMBL3065833

COCCCN1C(=O)COc2ccc(C(C)O)cc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
REN P00797 1/20 0.52
KDM4E B2RXH2 1/20 0.47
POLB P06746 5/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 3/20 0.45
MAPT P10636 1/20 0.45
KMO O15229 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL78468 0.91 REN (0.54) TSHRRENKDM4EPOLBTP53
SCHEMBL1047741 0.82 REN (0.57) TSHRRENKDM4EPOLBTP53
SCHEMBL89401 0.82 TSHR (0.71) TSHRRENPOLBTP53THRB
SCHEMBL2339596 0.81 TSHR (0.56) TSHRRENKDM4EPOLBTP53
SCHEMBL55503 0.81 REN (0.61) TSHRRENKDM4EPOLBTP53
SCHEMBL6721804 0.81 REN (0.56) TSHRRENKDM4EPOLBTP53
SCHEMBL6508989 0.81 REN (0.56) TSHRRENKDM4EPOLBTP53
SCHEMBL927855 0.80 REN (0.55) TSHRRENKDM4EPOLBTP53
SCHEMBL3065160 0.80 REN (0.55) TSHRRENKDM4EPOLBTP53
SCHEMBL1015445 0.79 TSHR (0.56) TSHRRENKDM4EPOLBTP53

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 3211/4885REN 1/4885KDM4E 1843/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885REN 1/4885KDM4E 1843/4885

“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.