SCHEMBL4352034

SCHEMBL4352034

C=CCN(CC=C)CCC[O]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR1E P28566 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL11319869 0.92 KDM4E (0.33) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL11029404 0.90 KDM4E (0.33) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL3430768 0.84 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL147492 0.83 KDM4E (0.36) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL213436 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL2699253 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL6943640 0.80 KDM4E (0.33) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL6527091 0.80 OPRK1 (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL3655351 0.80 KDM4E (0.33) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL3060057 0.80 KDM4E (0.33) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US claimed
WO-2008157216-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2008-12-24 WO claimed
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US disclosed
WO-2008157216-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2008-12-24 WO disclosed
EP-0190015-B1 NOVEL 4H-1-BENZOPYRAN-4-ONES AND THEIR SULPHUR CONTAINING ANALOGS WARNER-LAMBERT COMPANY (US) 1989-01-25 EP disclosed
US-4678787-A PSYCHOSIS, SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1987-07-07 US disclosed
EP-0190015-A1 Novel 4H-1-benzopyran-4-ones and their sulphur containing analogs WARNER-LAMBERT COMPANY (US) 1986-08-06 EP 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-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES HTR6, HTR2B, HTR3B ALDH1A1 721/4885KDM4E 2270/4885KMT2A 648/4885

“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.