SCHEMBL388383

SCHEMBL388383

CC(C)(C)C(=O)OC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 7/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43

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
SCHEMBL9710536 0.85 ALDH1A1 (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9710538 0.83 MAPT (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10996751 0.81 MAPT (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4435225 0.80 MAPT (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL521069 0.79 MAPT (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9969599 0.79 CYP2C19 (0.53) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL9976430 0.78 ALDH1A1 (0.55) MAPTALDH1A1HTTSMN1; SMN2GAA
SCHEMBL6261030 0.77 TSHR (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11794354 0.77 ALDH1A1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31154474 0.77 LMNA (0.52) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101655-B2 Fluorescent dyes and complexes SMITH GERALD ARTHUR (GB) 2012-01-24 US disclosed
US-8101655-B2 Fluorescent dyes and complexes SMITH GERALD ARTHUR (GB) 2012-01-24 US disclosed
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-10-07 US disclosed
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-10-07 US disclosed
US-7674918-B2 Fluorescent dyes and complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-03-09 US disclosed
US-7674918-B2 Fluorescent dyes and complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-03-09 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
EP-1740947-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2007-01-10 EP disclosed
WO-2005098437-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD (GB) 2005-10-20 WO 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 (2 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-20070238884-A1 Fluorescent Dyes and Complexes F12, PYM1, ANXA6 MAPT 3961/4885ALDH1A1 1039/4885LMNA 461/4885
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES F12, ANXA6, PYM1 MAPT 3957/4885ALDH1A1 1468/4885LMNA 409/4885

“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.