SCHEMBL18407102

SCHEMBL18407102

CC(=O)CNCCNCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTPRC P08575 2/20 0.33
GAA P10253 2/20 0.33
DGAT1 O75907 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2D6 P10635 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LATS1 O95835 1/20 0.31
VSIR Q9H7M9 1/20 0.31

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
SCHEMBL9945625 0.92 CA2 (0.37) MAOAMAOBCA12CA2CA14
SCHEMBL6535041 0.92 MAOA (0.44) MAOAMAOBCA12CA2CA14
SCHEMBL9612246 0.90 MAOA (0.43) MAOAMAOBCA12CA2CA14
SCHEMBL25683487 0.86 MAOA (0.39) MAOAMAOBCA12CA2CA14
SCHEMBL3297916 0.84 MAOA (0.40) MAOAMAOBCA12CA2CA14
SCHEMBL783009 0.83 CA2 (0.41) MAOAMAOBCA12CA2CA14
SCHEMBL12450077 0.82 MAOA (0.39) MAOAMAOBCA12CA2CA14
SCHEMBL22235058 0.82 MAOA (0.39) MAOAMAOBCA12CA2CA14
SCHEMBL3809747 0.82 MAOA (0.39) MAOAMAOBCA12CA2CA14
SCHEMBL16558051 0.82 MAOA (0.41) MAOAMAOBCA12CA2CA14

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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 US disclosed
US-20170022224-A1 HBED-Bisphosphonates, Radiometal Conjugates and Their Use as Theranostic Agents FIVE ELEVEN PHARMA INC. (US) 2017-01-26 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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R MAOA 4304/4885MAOB 3912/4885CA12 250/4885
US-20170022224-A1 HBED-Bisphosphonates, Radiometal Conjugates and Their Use as Theranostic Agents SLC10A1, SLC9B2, SLCO2B1 MAOA 4459/4885MAOB 3094/4885CA12 258/4885

“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.