SCHEMBL18501033

SCHEMBL18501033

O=C(O)CCCCCNC(=O)OC1Cc2cocc2/C=C\c2cocc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.35
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PRMT1 Q99873 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ADRA1A P35348 1/20 0.33
POLB P06746 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL12286242 0.82 KMT2A (0.38) KMT2AMAPK1HTR2CSLC6A3PRMT1
SCHEMBL18501035 0.77 KMT2A (0.49) KMT2AMAPK1HTR2CSLC6A3ALDH1A1
SCHEMBL18769789 0.75 CYP1A2 (0.43) KMT2AMAPK1HTR2CSLC6A3ITGB3
SCHEMBL12288686 0.72 EPHX2 (0.35) EPHX2
SCHEMBL12286069 0.70 KMT2A (0.48) KMT2AMAPK1HTR2CSLC6A3PRMT1
SCHEMBL12285453 0.69 KMT2A (0.38) KMT2AMAPK1HTR2CSLC6A3PRMT1
SCHEMBL12285343 0.67 CYP1A2 (0.41) KMT2AMAPK1HTR2CSLC6A3ITGB3
SCHEMBL1491692 0.62 KMT2A (0.69) KMT2AMAPK1HTR2CSLC6A3PRMT1
Hydrochloric Acid SCHEMBL4446983 0.62 EPHX1 (0.54) KMT2AMAPK1PRMT1ADRA1AEPHX1
SCHEMBL17702122 0.60 EPHX1 (0.45) KMT2AMAPK1PRMT1ADRA1AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 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-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) FANCI, PCNA, DNMT1 KMT2A 1140/4885MAPK1 2582/4885HTR2C 4727/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 KMT2A 1140/4885MAPK1 2582/4885HTR2C 4727/4885

“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.