SCHEMBL13066049

SCHEMBL13066049

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ CA9 Q16790 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ SLC5A2 P31639 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ OPRD1 P41143 2/20 0.38

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
SCHEMBL10293917 0.96 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL10293951 0.96 DNASE1L3 (0.45) ESR1DNASE1L3PRMT1CA9CA1
SCHEMBL13024599 0.92 ESR1 (0.43) ESR1DNASE1L3PRMT1CA9CA1
SCHEMBL10293902 0.91 ESR1 (0.47) ESR1DNASE1L3PRMT1CA9CA1
SCHEMBL10293935 0.91 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL14115547 0.91 ESR1 (0.43) ESR1DNASE1L3PRMT1CA9CA1
SCHEMBL13024595 0.88 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL13024605 0.88 DNASE1L3 (0.45) ESR1DNASE1L3PRMT1CA9CA1
SCHEMBL14415022 0.88 ESR1 (0.47) ESR1CA9CA1CA2CA12
SCHEMBL14415034 0.87 DNASE1L3 (0.44) ESR1DNASE1L3PRMT1CA9CA1

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 6 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-7399854-B2 Regents labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-07-15 — — US disclosed
US-20070161026-A1 REGENTS 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 ESR1 2242/4885DNASE1L3 3657/4885PRMT1 1266/4885
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 ESR1 1970/4885DNASE1L3 1414/4885PRMT1 1751/4885
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES SOAT1, GFPT1, CBR3 ESR1 1296/4885DNASE1L3 4166/4885PRMT1 902/4885
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, SLC25A1 ESR1 2046/4885DNASE1L3 3684/4885PRMT1 1254/4885

“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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