SCHEMBL13024583

SCHEMBL13024583

CN(C)c1ccc2c(-c3ccc(C(=O)NCC(=O)NCc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.56
▸ ESR1 P03372 1/20 0.55
▸ HTR3A P46098 1/20 0.49
▸ SLC5A2 P31639 4/20 0.48
▸ GBA1 P04062 2/20 0.48
▸ ALB P02768 1/20 0.48
▸ CA9 Q16790 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ ITPR1 Q14643 1/20 0.46

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
SCHEMBL13024586 0.95 P2RY6 (0.60) P2RY6ESR1HTR3ASLC5A2GBA1
SCHEMBL10293892 0.91 ESR1 (0.56) P2RY6ESR1SLC5A2ALBCA9
SCHEMBL14597225 0.89 ESR1 (0.55) P2RY6ESR1SLC5A2ALBCA9
SCHEMBL14115558 0.89 ESR1 (0.55) P2RY6ESR1SLC5A2ALBCA9
SCHEMBL10137968 0.89 ESR1 (0.48) P2RY6ESR1HTR3ASLC5A2CA9
SCHEMBL13024595 0.88 ESR1 (0.48) P2RY6ESR1HTR3ASLC5A2CA9
SCHEMBL13024618 0.86 P2RY6 (0.54) P2RY6ESR1HTR3ASLC5A2GBA1
SCHEMBL13078102 0.86 ESR1 (0.56) P2RY6ESR1SLC5A2ALBCA9
SCHEMBL14415050 0.86 ESR1 (0.50) P2RY6ESR1SLC5A2ALBCA9
SCHEMBL14415009 0.85 ESR1 (0.54) P2RY6ESR1SLC5A2ALBCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090118485-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLIED BIOSYSTEMS INC. (US) 2009-05-07 — — US disclosed
US-7452672-B2 Methods of analyzing polynucleotides employing energy transfer dyes APPLIED BIOSYSTEMS INC. (US) 2008-11-18 — — US disclosed
US-7449298-B2 Methods of analyzing polynucleotides employing energy transfer dyes APPLIED BIOSYSTEMS INC. (US) 2008-11-11 — — US disclosed
US-7449149-B2 Kits useful for sequencing nucleic acids APPLIED BIOSYSTEMS INC. (US) 2008-11-11 — — US disclosed
US-20080268509-A1 METHODS OF LABELING POLYNUCLEOTIDES WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2008-10-30 — — US disclosed
US-7432058-B2 Methods of labeling nucleic acids with energy transfer dyes APPLERA CORPORATION (US) 2008-10-07 — — US disclosed
US-7423140-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLIED BIOSYSTEMS INC. (US) 2008-09-09 — — US disclosed
US-7399854-B2 Regents labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-07-15 — — US disclosed
US-7388092-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-06-17 — — US disclosed
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS APPLERA CORPORATION (US) 2007-09-06 — — 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 (10 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-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 P2RY6 4215/4885ESR1 1970/4885HTR3A 1974/4885
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 P2RY6 4446/4885ESR1 2242/4885HTR3A 1719/4885
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 P2RY6 4215/4885ESR1 1970/4885HTR3A 1974/4885
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB P2RY6 4273/4885ESR1 1985/4885HTR3A 1973/4885
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence SLC25A21, RPS28, ZCCHC8 P2RY6 4293/4885ESR1 2304/4885HTR3A 1589/4885
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES SOAT1, GFPT1, CBR3 P2RY6 4094/4885ESR1 1296/4885HTR3A 1931/4885
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS RNGTT, POLRMT, MRM1 P2RY6 4397/4885ESR1 2411/4885HTR3A 2178/4885
US-20090118485-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB P2RY6 4273/4885ESR1 1985/4885HTR3A 1973/4885
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES POLRMT, NOP2, NSUN3 P2RY6 3047/4885ESR1 3757/4885HTR3A 2491/4885
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, SLC25A1 P2RY6 4355/4885ESR1 2046/4885HTR3A 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.

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