SCHEMBL16985996

SCHEMBL16985996

CCN(CC)c1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.60
HCAR3 P49019 2/20 0.58
POLB P06746 2/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
MAPK1 P28482 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
LMNA P02545 2/20 0.44
SLFN12 Q8IYM2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL11271182 0.85 POLB (0.52) ALDH3A1HCAR3POLBMCOLN3ALDH1A1
SCHEMBL3991397 0.82 POLB (0.62) HCAR3POLBMCOLN3ALDH1A1MAPT
SCHEMBL9588620 0.81 POLB (0.57) POLBMCOLN3ALDH1A1MAPTMAPK1
SCHEMBL11035135 0.79 POLB (0.47) ALDH3A1HCAR3POLBMCOLN3ALDH1A1
SCHEMBL1524806 0.79 ALDH3A1 (0.65) ALDH3A1HCAR3POLBALDH1A1MAPT
SCHEMBL28718121 0.78 ALDH3A1 (0.63) ALDH3A1HCAR3POLBALDH1A1MAPT
SCHEMBL17309819 0.78 ALDH3A1 (0.63) ALDH3A1HCAR3POLBALDH1A1MAPT
SCHEMBL30383757 0.77 SMN1; SMN2 (0.44) ALDH3A1HCAR3POLBMCOLN3ALDH1A1
SCHEMBL3823448 0.77 ALDH1A1 (0.54) POLBMCOLN3ALDH1A1MAPTMAPK1
SCHEMBL29833050 0.77 POLB (0.53) HCAR3POLBMCOLN3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145214-A1 FLUOROGENIC PH-SENSITIVE DYES AND THEIR METHODS OF USE (II) Life Technologies Corporation 2017-05-25 US disclosed
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 US disclosed
US-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use Life Technologies Corporation 2015-08-27 US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 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-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use ALPG, XDH, HEXD ALDH3A1 283/4885HCAR3 1080/4885POLB 1582/4885

“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.