SCHEMBL89109

SCHEMBL89109

CCc1ccc(C(C)(C)C)c(OCCCOC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
NR1H4 Q96RI1 2/20 0.36
EPHX2 P34913 1/20 0.36
REN P00797 1/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.36
PPARG P37231 1/20 0.36
GAA P10253 1/20 0.35
BIRC5 O15392 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL17354127 0.80 REN (0.41) HTTLMNAMAPK1L3MBTL1KDM4E
SCHEMBL31588838 0.80 PTGS2 (0.48) HTTLMNAKDM4EALDH1A1NR1H4
SCHEMBL11440282 0.80 PTGS2 (0.48) HTTLMNAKDM4EALDH1A1NR1H4
SCHEMBL6044342 0.79 LMNA (0.46) HTTLMNAMAPK1L3MBTL1KDM4E
SCHEMBL88960 0.79 CA2 (0.48) LMNAMAPK1KDM4EREN
SCHEMBL89076 0.79 CA2 (0.48) L3MBTL1KDM4EPPARAPPARD
SCHEMBL89036 0.78 HTT (0.41) HTTLMNAMAPK1L3MBTL1KDM4E
SCHEMBL8906390 0.77 REN (0.41) HTTLMNAMAPK1REN
SCHEMBL8906385 0.77 REN (0.41) HTTLMNAMAPK1REN
SCHEMBL3434221 0.77 NR1H4 (0.46) HTTLMNAMAPK1KDM4EALDH1A1

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 4 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
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 HTT 943/4885LMNA 1594/4885MAPK1 3191/4885

“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.