SCHEMBL88960

SCHEMBL88960

CCc1ccc(OC)c(OCCCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
REN P00797 3/20 0.46
SIGMAR1 Q99720 3/20 0.45
EBP Q15125 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
PTGS2 P35354 1/20 0.44
PDE4A P27815 2/20 0.44
MAPK1 P28482 2/20 0.44
PDE4D Q08499 2/20 0.44
TNF P01375 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL89076 0.93 CA2 (0.48) CA2PTGS2MAPTKDM4EMEN1
SCHEMBL16381568 0.87 SIGMAR1 (0.52) SIGMAR1EBPTMEM97KDM4E
SCHEMBL1039963 0.85 REN (0.48) CA2RENSIGMAR1EBPTMEM97
SCHEMBL15173349 0.85 CA2 (0.47) CA2RENSIGMAR1EBPTMEM97
SCHEMBL2810242 0.85 REN (0.48) CA2RENMAPTKDM4EPRSS1
SCHEMBL15173216 0.85 TTR (0.50) CA2RENKDM4EPRSS1
SCHEMBL29521379 0.85 REN (0.48) CA2RENMAPTKDM4EPRSS1
SCHEMBL13634485 0.84 L3MBTL1 (0.50) CA2PTGS2MAPK1MAPTKDM4E
SCHEMBL13185202 0.84 BIRC5 (0.46) CA2SIGMAR1EBPTMEM97PTGS2
SCHEMBL89638 0.83 KDM4E (0.51) SIGMAR1LMNAKDM4EMEN1KMT2A

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-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007123718-A1 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES VITAE PHARMACEUTICALS, INC. (US) 2007-11-01 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 CA2 1099/4885REN 1/4885SIGMAR1 842/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA2 562/4885REN 1/4885SIGMAR1 1185/4885

“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.