SCHEMBL22071237

SCHEMBL22071237

O=C(O)c1ccc(C#Cc2ccc(C(=O)O)s2)s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
LIG1 P18858 1/20 0.47
KMT2A Q03164 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HPGDS O60760 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL4407685 0.88 RAB9A (0.44) DAOL3MBTL1KMT2AMEN1POLB
SCHEMBL16056864 0.84 DAO (0.42) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL5162659 0.84 DAO (0.50) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL16401195 0.82 DAO (0.46) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL432505 0.82 L3MBTL1 (0.58) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL3960184 0.82 DAO (0.48) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL1277482 0.82 HDAC8 (0.66) DAOPKMLIG1KMT2AHDAC8
SCHEMBL31955545 0.81 L3MBTL1 (0.76) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL17057395 0.80 DAO (0.43) DAOL3MBTL1PKMLIG1KMT2A
SCHEMBL3586108 0.80 KDM4E (0.53) L3MBTL1PKMKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11565235-B2 System and method for removing contaminants YOUNGSTOWN STATE UNIVERSITY (US) 2023-01-31 US disclosed
US-20200179905-A1 SYSTEM AND METHOD FOR REMOVING CONTAMINANTS YOUNGSTOWN STATE UNIVERSITY (US) 2020-06-11 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 (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-20200179905-A1 SYSTEM AND METHOD FOR REMOVING CONTAMINANTS RIF1, ATF1, MUS81 DAO 2075/4885L3MBTL1 1587/4885PKM 3119/4885
US-11565235-B2 System and method for removing contaminants RIF1, ATF1, MUS81 DAO 2075/4885L3MBTL1 1587/4885PKM 3119/4885

“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.