SCHEMBL4123469

SCHEMBL4123469

CC(=O)C(Cl)C(=O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
DPP4 P27487 1/20 0.37
MMP8 P22894 1/20 0.37
HPGD P15428 3/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
CA2 P00918 1/20 0.34
CHKA P35790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM1 P11229 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL11685115 0.79 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AHTTMMP1
SCHEMBL28812874 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ADPP7MMP1
SCHEMBL11061943 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL226270 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL10665653 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL165002 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL11837046 0.75 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL11761306 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL11061954 0.72 DPP7 (0.42) ALDH1A1MEN1KMT2AHTTDPP7
SCHEMBL25447805 0.72 ALDH1A1 (0.48) ALDH1A1HTTDPP7MMP1MMP2

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-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 ALDH1A1 3155/4885MEN1 1287/4885KMT2A 2082/4885

“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.