SCHEMBL14929645

SCHEMBL14929645

CCOP(C)(=O)CCC[n+]1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.47
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
UBE2N P61088 1/20 0.33
RAD52 P43351 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL13411417 0.85 HTT (0.49) HTT
Bromide SCHEMBL2562587 0.84 HTT (0.47) HTTMEN1MAPTKMT2AMAPK1
Bromide SCHEMBL31354627 0.72 MEN1 (0.46) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL14929640 0.71 KDM4E (0.49) HTTMEN1MAPTKMT2AMAPK1
SCHEMBL12533280 0.70 HTT (0.77) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL18234751 0.70 HTT (0.70) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL575186 0.68 TSHR (0.43) SMN1; SMN2TP53
SCHEMBL294354 0.68 HTT (0.83) HTTMEN1MAPTKMT2AMAPK1
SCHEMBL2229292 0.68 HTT (0.61) HTTMEN1MAPTKMT2AMAPK1
SCHEMBL4403595 0.68 HTT (0.82) HTTMEN1MAPTKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674102-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20130217059-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-22 US disclosed
US-20130209994-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-15 US disclosed
US-8476443-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2013-07-02 US disclosed
US-20130115651-A1 FLUORESCENT DYES ENZO BIOCHEM, INC. (US) 2013-05-09 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-20130115651-A1 FLUORESCENT DYES ANXA5, SSBP1, IARS1 HTT 539/4885MEN1 3539/4885MAPT 1725/4885

“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.