SCHEMBL18908557

SCHEMBL18908557

CCCC(O)CNC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB5 P28074 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GPR84 Q9NQS5 4/20 0.35
FAAH O00519 1/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1347631 0.85 CASP2 (0.44) PSMB5HDAC8HDAC6FAAHHDAC1
SCHEMBL16472474 0.85 HDAC7 (0.34) MEN1KMT2AHDAC7HDAC8HDAC6
SCHEMBL19661531 0.83 MEN1 (0.40) MEN1KMT2APSMB5HTR2CDRD3
SCHEMBL19455924 0.83 MEN1 (0.40) MEN1KMT2APSMB5HTR2CDRD3
SCHEMBL3692879 0.82 MEN1 (0.46) MEN1KMT2APSMB5CYP2C9ALDH1A1
SCHEMBL12713499 0.82 PTPN1 (0.44) MEN1KMT2APSMB5GPR84FAAH
SCHEMBL24371945 0.80 PAOX (0.38) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL3684729 0.80 CYP2D6 (0.50) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL15943619 0.80 MEN1 (0.44) MEN1KMT2APSMB5HTR2CDRD3
SCHEMBL21766673 0.80 MEN1 (0.44) MEN1KMT2APSMB5HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127605-A1 NUCLEIC ACID CONJUGATE KYOWA KIRIN CO., LTD. (JP) 2022-04-28 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
WO-2017092691-A1 STAPLED HELICAL PEPTIDES AND METHODS OF SYNTHESIS THE UNIVERSITY OF HONG KONG (CN) 2017-06-08 WO disclosed
US-20170152286-A1 STAPLED HELICAL PEPTIDES AND METHODS OF SYNTHESIS THE UNIVERSITY OF HONG KONG (HK) 2017-06-01 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-20220127605-A1 NUCLEIC ACID CONJUGATE NSUN3, NSUN2, RNASEH1 MEN1 1500/4885KMT2A 1750/4885PSMB5 3144/4885
US-20170152286-A1 STAPLED HELICAL PEPTIDES AND METHODS OF SYNTHESIS SPPL2B, SUCLA2, PRAP1 MEN1 1283/4885KMT2A 3833/4885PSMB5 1727/4885

“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.