SCHEMBL10137968

SCHEMBL10137968

CN(C)c1ccc2c(-c3c(Cl)cc(C(=O)NCC(=O)NCc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)c(Cl)c3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.48
▸ P2RY6 Q15077 1/20 0.44
▸ CA9 Q16790 6/20 0.43
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC5A2 P31639 3/20 0.42
▸ OPRD1 P41143 4/20 0.41
▸ HTR3A P46098 1/20 0.40

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
SCHEMBL13024595 0.96 ESR1 (0.48) ESR1P2RY6CA9CA1CA2
SCHEMBL13041604 0.93 MEN1 (0.45) ESR1P2RY6CA9CA1CA2
SCHEMBL10293935 0.93 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL13024599 0.92 ESR1 (0.43) ESR1P2RY6CA9CA1CA2
SCHEMBL14415018 0.92 ESR1 (0.47) ESR1CA9CA1CA2CA12
SCHEMBL13024600 0.91 ESR1 (0.47) ESR1P2RY6CA9CA1CA2
SCHEMBL13024593 0.91 CA9 (0.47) ESR1P2RY6CA9CA1CA2
SCHEMBL14115541 0.91 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL13041608 0.89 MEN1 (0.44) ESR1P2RY6CA9CA1CA2
SCHEMBL13024583 0.89 P2RY6 (0.56) ESR1P2RY6CA9CA1CA2

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 23 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-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-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-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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 — — 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-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 — — US disclosed
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 — — US disclosed
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES 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

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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 ESR1 3833/4885P2RY6 1346/4885CA9 1801/4885
US-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 ESR1 1970/4885P2RY6 4215/4885CA9 4450/4885
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 ESR1 4021/4885P2RY6 2054/4885CA9 1152/4885
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 ESR1 3833/4885P2RY6 1346/4885CA9 1801/4885
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 ESR1 2242/4885P2RY6 4446/4885CA9 4073/4885
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB ESR1 1985/4885P2RY6 4273/4885CA9 4432/4885
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence SLC25A21, RPS28, ZCCHC8 ESR1 2304/4885P2RY6 4293/4885CA9 4308/4885
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS RNGTT, POLRMT, MRM1 ESR1 2411/4885P2RY6 4397/4885CA9 3414/4885
US-20090118485-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB ESR1 1985/4885P2RY6 4273/4885CA9 4432/4885
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES POLRMT, NOP2, NSUN3 ESR1 3757/4885P2RY6 3047/4885CA9 4759/4885

“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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