SCHEMBL57211

SCHEMBL57211

CCOC(=O)c1cc(O)c2c(c1)OCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
PTPN11 Q06124 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL56049 0.92 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL90518 0.79 RAB9A (0.38) CA12CA1CA2CA7CA9
SCHEMBL3369130 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL90489 0.78 REN (0.39) CA12CA1CA2CA7CA9
SCHEMBL13131908 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2865009 0.77 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2555031 0.76 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL26644411 0.76 HSD17B2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL24750118 0.76 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL30768370 0.76 KDM4E (0.51) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101365680-A 3, 5-substituted piperidine compounds as renin inhibitors NOVARTIS AG (CH) 2009-02-11 CN disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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 CA12 2906/4885CA1 2037/4885CA2 562/4885

“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.