SCHEMBL88767

SCHEMBL88767

CCc1cc(CC)nc(OCCCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PTGS2 P35354 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL89635 0.89 CBFB (0.33) ALDH1A1KDM4EGAAMEN1LMNA
SCHEMBL15087930 0.89 MEN1 (0.30) ALDH1A1GAAMEN1LMNAGLA
SCHEMBL89363 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EPTGS2GAAMEN1
SCHEMBL13490769 0.83 SMN1; SMN2 (0.36) ALDH1A1KDM4EPTGS2GAAMEN1
SCHEMBL88993 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1POLBTSHR
SCHEMBL88994 0.79 PLA2G2A (0.40) ALDH1A1KDM4EMEN1MAPTTSHR
SCHEMBL13490772 0.76 LOXL2 (0.46) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL13490770 0.76 HTR7 (0.38) ALDH1A1KDM4EGAATSHRCYP1A2
SCHEMBL6465582 0.72 NOS3 (0.44) PTGS2POLBNOS3NOS2CYP1A2
SCHEMBL88985 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EPTGS2GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US 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 ALDH1A1 38/4885KDM4E 1650/4885PTGS2 252/4885

“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.