SCHEMBL3458780

SCHEMBL3458780

CCCCCC1(N)C=CC=CC1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
NAAA Q02083 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL3102574 0.83 POLA1 (0.35)
SCHEMBL2461933 0.79 POLA1 (0.34)
SCHEMBL31070849 0.79 POLA1 (0.30)
SCHEMBL28737678 0.76 NPC1 (0.38) KCNH2CES2CES1LMNAKDM4E
SCHEMBL7851780 0.76 L3MBTL1 (0.41) CES2CES1HTTNPC1L3MBTL1
SCHEMBL1726141 0.74 KDM1A (0.39) MMP2MMP3MMP9
SCHEMBL6938598 0.73 L3MBTL1 (0.39) CES2CES1HTTNPC1L3MBTL1
SCHEMBL11528752 0.73
SCHEMBL28841075 0.72 KCNH2 (0.43) KCNH2CES2CES1NAAALMNA
SCHEMBL29091452 0.72 NPC1 (0.40) KCNH2CES2CES1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820061-B2 Titanium oxide and alumina alkali metal compositions SIGNA CHEMISTRY, INC. (US) 2010-10-26 US disclosed
US-20090266771-A1 TITANIUM OXIDE AND ALUMINA ALKALI METAL COMPOSITIONS SIGNA CHEMISTRY, INC. (US) 2009-10-29 US disclosed
US-7560606-B2 Titanium oxide and alumina alkali metal compositions SIGNA CHEMISTRY, INC. (US) 2009-07-14 US disclosed
US-20080063596-A1 TITANIUM OXIDE AND ALUMINA ALKALI METAL COMPOSITIONS SIGNA CHEMISTRY LLC (US) 2008-03-13 US disclosed
CN-101060928-A Titanium oxide and aluminum oxide alkali metal compositions SIGNA CHEMISTRY LLC (US) 2007-10-24 CN disclosed
US-7259128-B2 Titanium oxide and alumina alkali metal compositions SIGNA CHEMISTRY, LLC (US) 2007-08-21 US disclosed
EP-1807199-A2 TITANIUM OXIDE AND ALUMINA ALKALI METAL COMPOSITIONS SIGNA CHEMISTRY LLC (US) 2007-07-18 EP disclosed
WO-2006036697-A2 TITANIUM OXIDE AND ALUMINA ALKALI METAL COMPOSTIONS SIGNA CHEMISTRY LLC (US) 2006-04-06 WO disclosed
US-20060073968-A1 Titanium oxide and alumina alkali metal compositions SIGNA CHEMISTRY LLC (US) 2006-04-06 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-20080063596-A1 TITANIUM OXIDE AND ALUMINA ALKALI METAL COMPOSITIONS KCNN1, ATP1A1, KCNJ11 KCNH2 20/4885CES2 4877/4885CES1 4378/4885

“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.