SCHEMBL1551008

SCHEMBL1551008

COC(=O)CCc1ccc(C#Cc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.74
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.48
AGTR1 P30556 1/20 0.48
MAPT P10636 2/20 0.46
S1PR2 O95136 1/20 0.46
HSP90AA1 P07900 1/20 0.46
OPRK1 P41145 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL1550913 0.85 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL10936594 0.83 MEN1 (0.63) MEN1KMT2AALDH1A1HTTAGTR1
SCHEMBL6192203 0.81 MEN1 (0.55) FFAR1MEN1KMT2AALDH1A1HTT
SCHEMBL12087531 0.81 MEN1 (0.55) FFAR1MEN1KMT2AALDH1A1HTT
SCHEMBL1550305 0.81 FFAR1 (0.71) FFAR1FFAR4
SCHEMBL1550283 0.81 FFAR1 (0.73) FFAR1FFAR4
SCHEMBL1550669 0.80 FFAR1 (0.68) FFAR1FFAR4
SCHEMBL1550762 0.80 FFAR1 (0.79) FFAR1ALDH1A1MAPTFFAR4
SCHEMBL1550939 0.80 FFAR1 (0.71) FFAR1FFAR4
SCHEMBL1550692 0.80 FFAR1 (0.71) FFAR1FFAR4

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
CN-105152919-A Compounds for the treatment of metabolic diseases UNIV SYDDANSK 2015-12-16 CN disclosed
CN-102137836-B Compounds for the treatment of metabolic disorders SYDDANSK UNIVERSITET (DK) 2015-08-26 CN disclosed
US-8586607-B2 Compounds for the treatment of metabolic diseases SYDDANSK UNIVERSITET (DK) 2013-11-19 US disclosed
US-8586607-B2 Compounds for the treatment of metabolic diseases SYDDANSK UNIVERSITET (DK) 2013-11-19 US disclosed
EP-2313360-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES UNIV SYDDANSK (DK) 2012-09-05 EP disclosed
CN-102137836-A Compounds for the treatment of metabolic disorders UNIV SYDDANSK 2011-07-27 CN disclosed
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 US disclosed
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 US disclosed
EP-2313360-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES Syddansk Universitet (DK) 2011-04-27 EP disclosed
WO-2010012650-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET (DK) 2010-02-04 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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 FFAR1 6/4885MEN1 2306/4885KMT2A 2212/4885

“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.