SCHEMBL88770

SCHEMBL88770

CCc1cc(OC)c(C)c(OCCCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 8/20 0.36
L3MBTL1 Q9Y468 8/20 0.36
HPGD P15428 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PRSS1 P07477 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 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
SCHEMBL89710 0.86 L3MBTL1 (0.39) MEN1KMT2ARXFP1MAPTL3MBTL1
SCHEMBL90116 0.85 ALOX15 (0.39) MEN1KMT2ARXFP1MAPTL3MBTL1
SCHEMBL1911337 0.85 SPIN1 (0.41) MEN1KMT2ARXFP1MAPTL3MBTL1
SCHEMBL13754262 0.83 PTGS2 (0.67) PTGS2MEN1KMT2ARXFP1KDM4E
SCHEMBL13131324 0.80 PTGS2 (0.50) PTGS2MAPTL3MBTL1HPGDSMN1; SMN2
SCHEMBL88960 0.79 CA2 (0.48) PTGS2MEN1KMT2AMAPTMAPK1
SCHEMBL89076 0.79 CA2 (0.48) PTGS2MEN1KMT2AMAPTL3MBTL1
SCHEMBL89209 0.76 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1TDP1CYP1A2
SCHEMBL13131322 0.76 PTGS2 (0.49) PTGS2MAPTL3MBTL1HPGDTDP1
SCHEMBL13131320 0.76 PTGS2 (0.49) PTGS2MEN1KMT2AMAPTL3MBTL1

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-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 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 PTGS2 252/4885MEN1 2336/4885KMT2A 3129/4885

“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.