SCHEMBL19088250

SCHEMBL19088250

CCCCOC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.38
S1PR1 P21453 1/20 0.38
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 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
SCHEMBL16317495 0.93 SIGMAR1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL17532246 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL16607367 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL25646717 0.86 SIGMAR1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL16749946 0.85 HSD17B10 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL10063507 0.85 HSD17B10 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL12004645 0.85 HSD17B10 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL20260416 0.85 HSD17B10 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL1041478 0.85 HSD17B10 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL16317494 0.85 SIGMAR1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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
WO-2017116994-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. (US) 2017-07-06 WO disclosed
US-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 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 (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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R ALDH1A1 1860/4885SMN1; SMN2 4514/4885MEN1 411/4885

“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.