SCHEMBL89076

SCHEMBL89076

CCc1ccc(OCCCOC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
PPARA Q07869 2/20 0.48
PPARD Q03181 1/20 0.48
PRSS1 P07477 2/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CALM1 P0DP23 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL88960 0.93 CA2 (0.48) CA2PRSS1MAPTMEN1KMT2A
SCHEMBL13634485 0.91 L3MBTL1 (0.50) CA2PPARAPPARDMAPTCALM1
SCHEMBL5024579 0.88 MAPT (0.50) CA2PPARAPPARDMAPTTDP1
SCHEMBL10459163 0.86 CA2 (0.48) CA2PPARAPPARDPRSS1MAPT
SCHEMBL13111718 0.86 CA2 (0.52) CA2CALM1L3MBTL1HPGDKDM4E
SCHEMBL13849660 0.85 KDM4E (0.53) CA2PPARAPPARDPRSS1CALM1
SCHEMBL15765933 0.85 KDM4E (0.54) CA2PPARAPPARDPRSS1MAPT
SCHEMBL13185202 0.84 BIRC5 (0.46) CA2CALM1L3MBTL1NPC1MEN1
SCHEMBL23195552 0.83 DRD2 (0.52) CA2PPARACALM1L3MBTL1KDM4E
SCHEMBL8373048 0.83 KCNH2 (0.53) CA2PPARAPPARDMAPTCALM1

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
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP 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
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 CA2 562/4885PPARA 2070/4885PPARD 491/4885

“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.