SCHEMBL88784

SCHEMBL88784

CCc1cc(F)c(C)cc1OCCCOC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
LTB4R Q15722 6/20 0.34
LTB4R2 Q9NPC1 6/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
HTR2A P28223 1/20 0.32
PPARG P37231 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL90173 0.83 LMNA (0.39) LMNAHTTL3MBTL1MAPTHPGD
SCHEMBL89538 0.83 TAAR1 (0.37) HTTL3MBTL1MAPTHPGDATM
SCHEMBL22215552 0.79 TAAR1 (0.53) MAPTHPGDTAAR1KDM4EKMT2A
SCHEMBL8282402 0.78 MAPT (0.40) LMNAHTTL3MBTL1MAPTHPGD
SCHEMBL90030 0.78 PTGES (0.41) LMNAHTTL3MBTL1MAPTHPGD
SCHEMBL90276 0.76 CNR2 (0.35) LTB4RLTB4R2KMT2ASCN9A
SCHEMBL29467973 0.74 L3MBTL1 (0.35) LMNAHTTL3MBTL1HPGDKDM4E
SCHEMBL13434195 0.74 LTB4R (0.41) LTB4RLTB4R2KDM4EKMT2AUSP2
SCHEMBL17637579 0.73 L3MBTL1 (0.39) L3MBTL1MAPTHPGDATMLTB4R
SCHEMBL13955847 0.73 TAAR1 (0.44) HTTL3MBTL1MAPTHPGDATM

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
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

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 LMNA 1594/4885HTT 943/4885L3MBTL1 3031/4885

“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.