SCHEMBL16596165

SCHEMBL16596165

CC(C)C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
HSD17B10 Q99714 2/20 0.65
POLB P06746 4/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TSHR P16473 3/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61

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
SCHEMBL13390844 0.95 HSD17B10 (0.70) MAPTHSD17B10POLBCYP1A2CYP2C19
SCHEMBL12308327 0.90 HSD17B10 (0.63) MAPTHSD17B10POLBCYP1A2CYP2C19
SCHEMBL12875982 0.88 RAB9A (0.75) MAPTHSD17B10POLBL3MBTL1TSHR
SCHEMBL17278343 0.85 HSD17B10 (0.68) MAPTHSD17B10POLBCYP1A2CYP2C19
SCHEMBL23818003 0.84 HSD17B10 (0.67) MAPTHSD17B10POLBCYP1A2CYP2C19
SCHEMBL22271624 0.83 MAPT (1.00) MAPTPOLBRECQLBLML3MBTL1
SCHEMBL16784224 0.81 HSD17B10 (0.67) MAPTHSD17B10POLBRECQLBLM
SCHEMBL4914872 0.81 MAPT (0.67) MAPTHSD17B10POLBL3MBTL1TSHR
SCHEMBL14499419 0.80 MAPT (0.72) MAPTHSD17B10POLBRECQLBLM
SCHEMBL14499420 0.80 MAPT (0.72) MAPTHSD17B10POLBRECQLBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086501-A1 POLYMERS FUNCTIONALIZED WITH ION-SPECIFIC RECOGNITION ELEMENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-26 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 (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-20150086501-A1 POLYMERS FUNCTIONALIZED WITH ION-SPECIFIC RECOGNITION ELEMENTS PUF60, PCBP1, ALG1 MAPT 3016/4885HSD17B10 4608/4885POLB 2470/4885

“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.