SCHEMBL89638

SCHEMBL89638

CCNCc1ccc(OC)c(OCCCOC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4913843 0.84 KDM4E (0.63) KDM4EPOLBKMT2ASMN1; SMN2HTR1A
SCHEMBL16381568 0.83 SIGMAR1 (0.52) KDM4ESIGMAR1
SCHEMBL88960 0.83 CA2 (0.48) KDM4EKMT2ASIGMAR1MEN1LMNA
SCHEMBL13973356 0.81 S1PR2 (0.53) KDM4ES1PR2S1PR1S1PR3LPAR2
SCHEMBL89815 0.79 MEN1 (0.54) KDM4EPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL16973543 0.79 PPARA (0.50) L3MBTL1KMT2AMEN1
SCHEMBL1039963 0.78 REN (0.48) L3MBTL1SMN1; SMN2SIGMAR1
SCHEMBL15173349 0.78 CA2 (0.47) KDM4EL3MBTL1SMN1; SMN2SIGMAR1
SCHEMBL15173216 0.78 TTR (0.50) KDM4E
SCHEMBL2810242 0.78 REN (0.48) KDM4EPOLBL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 KDM4E 1650/4885POLB 589/4885S1PR2 1669/4885

“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.