SCHEMBL16015394

SCHEMBL16015394

CCCCOc1cc(COc2cc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc(OCc3cc(OCCCC)c(OCCCC)c(OCCCC)c3)c2OCc2cc(OCCCC)c(OCCCC)c(OCCCC)c2)cc(OCCCC)c1OCCCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.48
POLB P06746 5/20 0.46
G6PD P11413 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL16015396 0.93 POLB (0.51) POLBG6PDLMNAKMT2AMEN1
SCHEMBL16015399 0.93 KMT2A (0.45) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16267757 0.89 PTGES (0.60) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16267756 0.89 PTGES (0.60) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16015329 0.86 PTGES (0.62) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16015337 0.84 PTGES (0.53) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16015331 0.82 PTGES (0.51) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16015334 0.82 PTGES (0.55) PTGESPOLBG6PDLMNAKMT2A
SCHEMBL16015395 0.81 POLB (0.53) POLBG6PDLMNAKMT2AMEN1
SCHEMBL16015332 0.79 PTGES (0.48) PTGESPOLBLMNAKMT2AMEN1

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-9201001-B2 Visual detection of fluoride ions INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2015-12-01 US disclosed
US-20140357894-A1 VISUAL DETECTION OF FLUORIDE IONS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2014-12-04 US disclosed
US-8828735-B2 Visual detection of fluoride ions INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2014-09-09 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-20140357894-A1 VISUAL DETECTION OF FLUORIDE IONS HNRNPL, HNRNPLL, ARAF PTGES 3388/4885POLB 2715/4885G6PD 4106/4885

“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.