SCHEMBL53770

SCHEMBL53770

CC[N+](CC)(CC)CCC[n+]1ccc(C)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.45
HTT P42858 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 4/20 0.40
MEN1 O00255 4/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
RAD52 P43351 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
Bromide SCHEMBL50240 0.99 KDM4E (0.55) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL16865134 0.85 KDM4E (0.55) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL13645489 0.84 KDM4E (0.64) KDM4EPOLBRECQLHTTSMN1; SMN2
Bromide SCHEMBL4619723 0.84 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12201138 0.83 KDM4E (0.59) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL13686278 0.82 KDM4E (0.62) KDM4EPOLBRECQL
SCHEMBL18799222 0.82 KDM4E (0.52) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL16450366 0.81 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12201171 0.80 KDM4E (0.58) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12201165 0.80 KDM4E (0.58) KDM4EPOLBRECQLHTTSMN1; SMN2

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-8129532-B2 Amino(oligo)thiophene dyes, preparation thereof, and optical methods of use THE UNIVERSITY OF CONNECTICUT (US) 2012-03-06 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 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-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT KDM4E 1117/4885POLB 2447/4885RECQL 2399/4885

“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.