SCHEMBL17517035

SCHEMBL17517035

Cc1ncccc1C1=C(CO)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
P2RX7 Q99572 1/20 0.34
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
TDO2 P48775 1/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS2 P35354 2/20 0.31
MEN1 O00255 1/20 0.31
HDAC4 P56524 1/20 0.31
PPARG P37231 1/20 0.31
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL16061067 0.81 BTK (0.40) DHODHL3MBTL1SIGMAR1KMT2APTGS2
SCHEMBL17486924 0.80 MKNK1 (0.40) MKNK1MKNK2P2RX7DHODHALDH1A1
SCHEMBL2108548 0.73 MAPT (0.36) DHODHALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL17517033 0.72 BRD4 (0.41) MKNK1MKNK2ALDH1A1L3MBTL1CYP1A2
SCHEMBL2108531 0.70 HCAR2 (0.36) DHODHALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2108726 0.69 HCAR2 (0.38) DHODHALDH1A1L3MBTL1
SCHEMBL3421959 0.69 MKNK1 (0.52) MKNK1MKNK2P2RX7L3MBTL1TDO2
SCHEMBL31469002 0.69 MKNK1 (0.52) MKNK1MKNK2P2RX7L3MBTL1TDO2
SCHEMBL28301632 0.68 MKNK1 (0.58) MKNK1MKNK2P2RX7DHODHPTGS2
SCHEMBL2109941 0.68 WDR5 (0.36) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039801-A1 SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION CYTOKINETICS, INC. (US) 2016-02-11 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-20160039801-A1 SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, MB, HBG2 MKNK1 4351/4885MKNK2 4280/4885P2RX7 3024/4885

“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.