SCHEMBL10137953

SCHEMBL10137953

CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(C(=O)NCc5c6oc7cc(O)ccc7c(-c7ccc(C(=O)O)cc7C(=O)O)c-6ccc5=O)cc4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.54
SLC5A2 P31639 2/20 0.48
HTR3A P46098 1/20 0.47
ITPR1 Q14643 1/20 0.46
GBA1 P04062 2/20 0.45
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
ESR1 P03372 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CA14 Q9ULX7 2/20 0.41
MAP3K5 Q99683 1/20 0.41

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
SCHEMBL13024619 0.97 P2RY6 (0.58) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL14071553 0.95 P2RY6 (0.52) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL13024617 0.94 P2RY6 (0.55) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL13024564 0.94 P2RY6 (0.52) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL13024566 0.93 P2RY6 (0.50) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL13024618 0.92 P2RY6 (0.54) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL10137955 0.92 P2RY6 (0.47) P2RY6SLC5A2HTR3AITPR1GBA1
SCHEMBL13066052 0.92 SLC5A2 (0.45) P2RY6SLC5A2HTR3ACA12CA1
SCHEMBL10293828 0.91 SLC5A2 (0.46) P2RY6SLC5A2HTR3ACA12CA1
SCHEMBL13024612 0.91 P2RY6 (0.48) P2RY6SLC5A2HTR3AITPR1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2010-11-04 US disclosed
US-7825237-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-02 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES Life Technologies Corporation (US) 2010-02-04 US disclosed
US-7595162-B2 Methods of labeling polynucleotides with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2009-09-29 US disclosed
US-7388092-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-06-17 US disclosed
US-20070212709-A1 Non-nucleosidic linker linking xanthene donor to 4,7-dichlororhodamine acceptor; APPLERA CORPORATION (US) 2007-09-13 US disclosed
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS APPLERA CORPORATION (US) 2007-09-06 US disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 US disclosed
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 US disclosed
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-05 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 (12 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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 P2RY6 1346/4885SLC5A2 2246/4885HTR3A 3449/4885
US-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 P2RY6 4215/4885SLC5A2 2377/4885HTR3A 1974/4885
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 P2RY6 1346/4885SLC5A2 2246/4885HTR3A 3449/4885
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 P2RY6 4446/4885SLC5A2 2548/4885HTR3A 1719/4885
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 P2RY6 4215/4885SLC5A2 2377/4885HTR3A 1974/4885
US-20070212709-A1 Non-nucleosidic linker linking xanthene donor to 4,7-dichlororhodamine acceptor; DCLRE1A, SLC25A21, DIMT1 P2RY6 4205/4885SLC5A2 3732/4885HTR3A 1512/4885
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB P2RY6 4273/4885SLC5A2 2583/4885HTR3A 1973/4885
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence SLC25A21, RPS28, ZCCHC8 P2RY6 4293/4885SLC5A2 3436/4885HTR3A 1589/4885
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES SOAT1, GFPT1, CBR3 P2RY6 4094/4885SLC5A2 2122/4885HTR3A 1931/4885
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS RNGTT, POLRMT, MRM1 P2RY6 4397/4885SLC5A2 3719/4885HTR3A 2178/4885
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES POLRMT, NOP2, NSUN3 P2RY6 3047/4885SLC5A2 3477/4885HTR3A 2491/4885
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, SLC25A1 P2RY6 4355/4885SLC5A2 2454/4885HTR3A 1591/4885

“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.