SCHEMBL19862764

SCHEMBL19862764

O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(Oc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
DOCK5 Q9H7D0 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2463018 0.82 KDM4E (0.51) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2462081 0.82 KDM4E (0.51) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL24249397 0.80 HSD11B1 (0.46) KMT2AMEN1POLBGAAALDH1A1
SCHEMBL12333837 0.79 RECQL (0.44) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2464539 0.79 KMT2A (0.40) KMT2AMEN1NPC1RAB9APOLB
Toluene SCHEMBL2464816 0.78 KMT2A (0.43) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29658280 0.76 DRD2 (0.56) KMT2AMEN1KDM4EGAADRD2
Hydrochloric Acid SCHEMBL29461356 0.75 DRD2 (0.55) KMT2AMEN1POLBKDM4EGAA
Hydrochloric Acid SCHEMBL29461349 0.75 DRD2 (0.55) KMT2AMEN1POLBKDM4EGAA
SCHEMBL2460474 0.70 OPRM1 (0.53) KMT2AMEN1POLBKDM4E

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-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 US disclosed
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 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-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, ACE, RNASEH1 KMT2A 1911/4885MEN1 3792/4885NPC1 2804/4885

“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.