SCHEMBL1608229

SCHEMBL1608229

CCCCCCCCC(=O)c1cc2cc(OC)c(OC)c([N+](=O)[O-])c2s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
STING1 Q86WV6 6/20 0.40
PKM P14618 1/20 0.39
ACHE P22303 4/20 0.38
MCL1 Q07820 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14673307 0.73 STING1 (0.40) STING1ACHEMEN1KMT2A
SCHEMBL1609359 0.69 PKM (0.44) STING1PKMMCL1MEN1ALDH1A1
SCHEMBL24722331 0.68 MEN1 (0.55) MEN1ALDH1A1KMT2A
SCHEMBL7834034 0.67 MEN1 (0.56) MEN1ALDH1A1KMT2A
SCHEMBL20049542 0.64 STING1 (0.76) STING1ACHE
SCHEMBL31564819 0.63 STING1 (0.84) STING1ACHE
SCHEMBL17714602 0.62 PLA2G4A (0.43) STING1MEN1ALDH1A1KMT2A
SCHEMBL9612658 0.62 STING1 (0.55) STING1ACHEMEN1ALDH1A1KMT2A
SCHEMBL9048628 0.62 RAB9A (0.60) MEN1ALDH1A1KMT2A
SCHEMBL18019404 0.62 LMNA (0.39) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US claimed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 TRPV1 2756/4885STING1 4828/4885PKM 672/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 TRPV1 2622/4885STING1 4840/4885PKM 836/4885

“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.