SCHEMBL89600

SCHEMBL89600

COCCOCc1cc(OC)cc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 3/20 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
SCHEMBL31634963 0.86 ALDH1A1 (0.49) ALDH1A1CA1CA2CA12CA7
SCHEMBL22946239 0.86 ALDH1A1 (0.49) ALDH1A1CA1CA2CA12CA7
SCHEMBL1205032 0.80 CA1 (0.43) ALDH1A1CA1CA2CA12CA7
SCHEMBL10185750 0.79 CA1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL89205 0.78 MAPT (0.54) ALDH1A1CA1CA2CA12CA7
SCHEMBL8265212 0.78 EGLN1 (0.42) CA1CA2KDM4ESMN1; SMN2TP53
SCHEMBL3220287 0.78 MEN1 (0.45) ALDH1A1CA1CA2KDM4EMEN1
SCHEMBL88992 0.78 PTGS2 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL31371222 0.78 CA1 (0.48) ALDH1A1CA1CA2CA12CA7
SCHEMBL2255610 0.78 CA1 (0.48) ALDH1A1CA1CA2CA12CA7

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
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-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (4 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 ALDH1A1 13/4885CA1 1565/4885CA2 409/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885CA1 2037/4885CA2 562/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885CA1 1761/4885CA2 494/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 ALDH1A1 127/4885CA1 2972/4885CA2 1140/4885

“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.