SCHEMBL532115

SCHEMBL532115

CC(C)N(C(C)C)P(OCCC#N)OCCCCCCNC(=O)Cc1cc(=O)oc2cc(OC(=O)C(C)(C)C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
LCK P06239 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL12762334 0.91 CA12 (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL532116 0.90 ACHE (0.38) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL532307 0.85 BCHE (0.36) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL532709 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL13060232 0.78 CA12 (0.37) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL13003126 0.78 CA12 (0.36) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL532306 0.76 BCHE (0.38) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL13815245 0.76 MEN1 (0.42) ALDH1A1HPGD
SCHEMBL13955280 0.72 GSTP1 (0.40) ALDH1A1
SCHEMBL13060231 0.71 KDM4E (0.36) KDM4EALDH1A1HPGDCYP1A2CYP2D6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430147-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2013-05-22 EP disclosed
EP-1235938-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2012-02-08 EP disclosed
US-7897736-B2 Fluorescent quenching detecting reagents and methods ELITECH HOLDING B.V. (NL) 2011-03-01 US disclosed
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-7662942-B2 Oligonucleotide probes containing two labels useful in hybridization assays Elitech Holdings, B.V. (NL) 2010-02-16 US disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 US disclosed
US-6727356-B1 AS PROBES SUCH AS FOR FLUORESCENCE RESONANCE ENERGY TRANSFER; QUENCHER INCLUDES A 4-(PHENYLDIAZENYL)PHENYLAMINE STRUCTURE; IMPROVED SIGNAL TO NOISE RATIO AND HYBRIDIZATION EPOCH PHARMACEUTICALS, INC. 2004-04-27 US disclosed
US-6699975-B2 OLIGONUCLEOTIDE FOR USE AS TOOL IN THE DETECTION OF PREFERENTIAL COMPOUNDS IN SOLUTION EPOCH BIOSCIENCES, INC. 2004-03-02 US disclosed
US-6653473-B2 Nucleotide sequences for use as diagnostic tool in genetic analysis EPOCH BIOSCIENCES, INC. 2003-11-25 US disclosed
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression EPOCH BIOSCIENCES, INC. (US) 2003-05-22 US disclosed
US-20030008304-A1 Fluorescent quenching detection reagents and methods EPOCH BIOSCIENCES, INC. (US) 2003-01-09 US disclosed
WO-2002099141-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2002-12-12 WO disclosed
US-20020155484-A1 Fluorescent quenching detection reagents and methods EPOCH PHARMACEUTICALS, INC. (US) 2002-10-24 US disclosed
EP-1235938-A2 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS Epoch Biosciences, Inc. (US) 2002-09-04 EP disclosed
US-20020034754-A1 Fluorescent quenching detection reagents and methods ELITECHGROUP, INC. 2002-03-21 US disclosed
WO-2001042505-A2 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2001-06-14 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 (6 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-20030008304-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B KDM4E 4634/4885ALDH1A1 2350/4885HPGD 2806/4885
US-20020034754-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B KDM4E 4634/4885ALDH1A1 2350/4885HPGD 2806/4885
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS DDX5, DDX21, DCLRE1B KDM4E 4651/4885ALDH1A1 2211/4885HPGD 2815/4885
US-20020155484-A1 Fluorescent quenching detection reagents and methods IPO4, PTBP3, DDX5 KDM4E 3864/4885ALDH1A1 3183/4885HPGD 2930/4885
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS PCNA, NCL, HNRNPH3 KDM4E 3510/4885ALDH1A1 2862/4885HPGD 4393/4885
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression DCLRE1B, SNRPE, ZFR KDM4E 4757/4885ALDH1A1 2641/4885HPGD 1670/4885

“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.